N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-pyridine-4-carboxamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-4-pyridinecarboxamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloropyridine-4-carboxamide Traditional Name: 2-chloro-N-[7-hydroxy-4-[2-keto-2-(piperonylamino)ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]isonicotinamide Formula: C30H33ClN4O6S MolecularWeight: 613.12422

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC5=C(C=C4)OCO5)N=C(S3)NC(=O)C6=CC(=NC=C6)Cl)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC5=C(C=C4)OCO5)N=C(S3)NC(=O)C6=CC(=NC=C6)Cl)(C)CO)O

InChI

InChI=1S/C30H33ClN4O6S/c1-29-7-5-23(37)30(2,14-36)22(29)12-21-26(34-28(42-21)35-27(39)17-6-8-32-24(31)10-17)18(29)11-25(38)33-13-16-3-4-19-20(9-16)41-15-40-19/h3-4,6,8-10,18,22-23,36-37H,5,7,11-15H2,1-2H3,(H,33,38)(H,34,35,39)