N-[[2-[4-(dimethylaminomethyl)phenyl]phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[2-[4-(dimethylaminomethyl)phenyl]phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[2-[4-(dimethylaminomethyl)phenyl]phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[2-[4-(dimethylaminomethyl)phenyl]phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[2-[4-(dimethylaminomethyl)phenyl]phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-[4-(dimethylaminomethyl)phenyl]benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C26H27N3O2S/c1-29(2)17-18-7-9-19(10-8-18)22-6-4-3-5-21(22)16-27-26(31)20-11-12-24-23(15-20)28-25(30)13-14-32-24/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,31)(H,28,30)