N-[8-chloranyl-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-[8-chloranyl-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)-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-(2-anilino-2-oxoethyl)-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)-8-chloro-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)-8-chloro-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Formula: C32H25ClN4O3S MolecularWeight: 581.0839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)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=C(S2)C=C(C=C3)Cl)CC(=O)NC4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C32H25ClN4O3S/c33-22-15-16-26-27(18-22)41-30(20-9-3-1-4-10-20)29(36-31(39)25-17-21-11-7-8-14-24(21)35-25)32(40)37(26)19-28(38)34-23-12-5-2-6-13-23/h1-18,29-30,35H,19H2,(H,34,38)(H,36,39)