N-[4-[[2-(2-azanylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide

Systemtic Name: N-[4-[[2-(2-azanylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-aminoethyl)-2H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CCN

InChI

InChI=1S/C31H27N3O2S/c32-20-18-25-19-21-34(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)33-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,19,21,25H,18,20,32H2,(H,33,35)