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]-4-tert-butyl-benzamide

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]-4-tert-butyl-benzamide 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]-4-tert-butyl-benzamide 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]-4-tert-butylbenzamide 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]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-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]benzamide Formula: C35H43N3O6S MolecularWeight: 633.79742

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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=C(C=C6)C(C)(C)C)(C)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O6S/c1-33(2,3)22-9-7-21(8-10-22)31(42)38-32-37-30-23(15-29(41)36-17-20-6-11-24-25(14-20)44-19-43-24)34(4)13-12-28(40)35(5,18-39)27(34)16-26(30)45-32/h6-11,14,23,27-28,39-40H,12-13,15-19H2,1-5H3,(H,36,41)(H,37,38,42)