N-(2-dimethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-6-keto-5-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCN(C)C)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCN(C)C)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C26H27N3O2S/c1-18-8-10-19(11-9-18)17-29-22-16-20(25(30)27-14-15-28(2)3)12-13-24(22)32-23-7-5-4-6-21(23)26(29)31/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)