5-[(2,5-dimethylphenyl)methyl]-N-methyl-6,11-bis(oxidanylidene)-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-N-methyl-6,11-bis(oxidanylidene)-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-5-[(2,5-dimethylphenyl)methyl]-N-methyl-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2,5-dimethylphenyl)methyl]-N-methyl-6,11-dioxo-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-5-[(2,5-dimethylphenyl)methyl]-N-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-5-(2,5-dimethylbenzyl)-6,11-diketo-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)S(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)S(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C31H28N2O3S/c1-21-13-14-22(2)25(17-21)20-33-27-18-24(30(34)32(3)19-23-9-5-4-6-10-23)15-16-29(27)37(36)28-12-8-7-11-26(28)31(33)35/h4-18H,19-20H2,1-3H3