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

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)NC1=O

InChI

InChI=1S/C20H18N4O2S/c25-19-6-9-27-18-5-4-15(11-17(18)23-19)20(26)22-16-3-1-2-14(10-16)12-24-8-7-21-13-24/h1-5,7-8,10-11,13H,6,9,12H2,(H,22,26)(H,23,25)