N-[4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-(2-anilino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-(2-anilino-2-keto-ethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Formula: C32H26N4O3S MolecularWeight: 546.63884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C32H26N4O3S/c37-28(33-23-14-5-2-6-15-23)20-36-26-17-9-10-18-27(26)40-30(21-11-3-1-4-12-21)29(32(36)39)35-31(38)25-19-22-13-7-8-16-24(22)34-25/h1-19,29-30,34H,20H2,(H,33,37)(H,35,38)