4-oxidanylidene-N-phenethyl-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-phenethyl-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-benzyl-4-oxo-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-phenethyl-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-benzyl-4-oxo-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-benzyl-4-keto-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C25H24N2O2S/c28-24-14-16-30-23-12-11-21(17-22(23)26-24)25(29)27(18-20-9-5-2-6-10-20)15-13-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,26,28)