2-[4,8a-dimethyl-5-oxidanyl-2-(2-pyridin-2-ylethylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-dimethylaminoethyl)-N-methyl-propanamide

Systemtic Name: 2-[4,8a-dimethyl-5-oxidanyl-2-(2-pyridin-2-ylethylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-dimethylaminoethyl)-N-methyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-2-[5-hydroxy-4,8a-dimethyl-2-[2-(2-pyridyl)ethylamino]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-2-[5-hydroxy-4,8a-dimethyl-2-[2-(2-pyridinyl)ethylamino]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methylpropanamide IUPAC Name: N-(2-dimethylaminoethyl)-2-[5-hydroxy-4,8a-dimethyl-2-(2-pyridin-2-ylethylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-2-[5-hydroxy-4,8a-dimethyl-2-[2-(2-pyridyl)ethylamino]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-propionamide Formula: C28H43N5O2S MolecularWeight: 513.73832

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(CCC2(CC3=C1N=C(S3)NCCC4=CC=CC=N4)C)C(C)C(=O)N(C)CCN(C)C)O

Isomeric SMILES

CC1C2C(C(CCC2(CC3=C1N=C(S3)NCCC4=CC=CC=N4)C)C(C)C(=O)N(C)CCN(C)C)O

InChI

InChI=1S/C28H43N5O2S/c1-18(26(35)33(6)16-15-32(4)5)21-10-12-28(3)17-22-24(19(2)23(28)25(21)34)31-27(36-22)30-14-11-20-9-7-8-13-29-20/h7-9,13,18-19,21,23,25,34H,10-12,14-17H2,1-6H3,(H,30,31)