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

Systemtic Name: 5-[(4-methylphenyl)methyl]-6-oxidanylidene-N-(3-piperidin-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[3-(1-piperidyl)propyl]-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-[3-(1-piperidinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-(3-piperidin-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(4-methylbenzyl)-N-(3-piperidinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H33N3O2S/c1-22-10-12-23(13-11-22)21-33-26-20-24(29(34)31-16-7-19-32-17-5-2-6-18-32)14-15-28(26)36-27-9-4-3-8-25(27)30(33)35/h3-4,8-15,20H,2,5-7,16-19,21H2,1H3,(H,31,34)