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

Systemtic Name: 4-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)NC1=O

InChI

InChI=1S/C20H19N5O2S/c26-19-7-8-28-18-6-5-14(9-17(18)24-19)20(27)22-10-15-3-1-2-4-16(15)11-25-13-21-12-23-25/h1-6,9,12-13H,7-8,10-11H2,(H,22,27)(H,24,26)