N'-(5-ethyl-4-methyl-thiophen-2-yl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-(5-ethyl-4-methyl-thiophen-2-yl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(5-ethyl-4-methyl-thiophene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(5-ethyl-4-methylthiophene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(5-ethyl-4-methyl-thiophene-2-carbonyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C18H19N3O3S2/c1-3-13-10(2)8-15(26-13)18(24)21-20-17(23)11-4-5-14-12(9-11)19-16(22)6-7-25-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)