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

Systemtic Name: N-methyl-4-oxidanylidene-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H22N4O2S/c1-25(13-17-12-23-26(15-17)14-16-5-3-2-4-6-16)22(28)18-7-8-20-19(11-18)24-21(27)9-10-29-20/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)