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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

InChI

InChI=1S/C27H24N4O2S/c1-30(27(33)20-12-13-24-23(16-20)28-25(32)14-15-34-24)17-21-18-31(22-10-6-3-7-11-22)29-26(21)19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3,(H,28,32)