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

Systemtic Name: 4-oxidanylidene-N-[3-(phenylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[3-(phenylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[3-(phenylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-(phenylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C23H20N4O3S/c28-21-11-12-31-20-10-9-15(13-19(20)27-21)22(29)24-17-7-4-8-18(14-17)26-23(30)25-16-5-2-1-3-6-16/h1-10,13-14H,11-12H2,(H,24,29)(H,27,28)(H2,25,26,30)