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

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-methyl-5-propionamido-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O3S/c1-3-18(24)21-14-6-4-12(2)15(11-14)23-20(26)13-5-7-17-16(10-13)22-19(25)8-9-27-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)