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

Systemtic Name: N-[4-oxidanylidene-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-[2-(benzylamino)-2-oxo-ethyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[4-oxo-5-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-[2-(benzylamino)-2-oxoethyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-[2-(benzylamino)-2-keto-ethyl]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Formula: C33H28N4O3S MolecularWeight: 560.66542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3SC(C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3SC(C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C33H28N4O3S/c38-29(34-20-22-11-3-1-4-12-22)21-37-27-17-9-10-18-28(27)41-31(23-13-5-2-6-14-23)30(33(37)40)36-32(39)26-19-24-15-7-8-16-25(24)35-26/h1-19,30-31,35H,20-21H2,(H,34,38)(H,36,39)