6-oxidanylidene-5-(phenylmethyl)-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-5-(phenylmethyl)-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-6-oxo-N-(2-thienylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-5-(phenylmethyl)-N-(thiophen-2-ylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-6-oxo-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-(2-thenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H20N2O2S2 MolecularWeight: 456.5792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H20N2O2S2/c29-25(27-16-20-9-6-14-31-20)19-12-13-24-22(15-19)28(17-18-7-2-1-3-8-18)26(30)21-10-4-5-11-23(21)32-24/h1-15H,16-17H2,(H,27,29)