N'-(3,4-dimethoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-(3,4-dimethoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(3,4-dimethoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(3,4-dimethoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(3,4-dimethoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-veratroyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

InChI

InChI=1S/C19H19N3O5S/c1-26-14-5-3-12(10-15(14)27-2)19(25)22-21-18(24)11-4-6-16-13(9-11)20-17(23)7-8-28-16/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)