4-[[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazino]methyl]benzonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)NC1=O

InChI

InChI=1S/C22H22N4O2S/c23-14-16-1-3-17(4-2-16)15-25-8-10-26(11-9-25)22(28)18-5-6-20-19(13-18)24-21(27)7-12-29-20/h1-6,13H,7-12,15H2,(H,24,27)