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

Systemtic Name: 4-oxidanylidene-N'-(3,4,5-trimethoxyphenyl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: 4-oxo-N'-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: 4-oxo-N'-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: 4-oxo-N'-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O6S/c1-27-14-9-12(10-15(28-2)18(14)29-3)20(26)23-22-19(25)11-4-5-16-13(8-11)21-17(24)6-7-30-16/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)