N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H21N3O3S2/c1-11-2-4-15-13(8-11)10-17(28-15)20(26)23-22-19(25)12-3-5-16-14(9-12)21-18(24)6-7-27-16/h3,5,9-11H,2,4,6-8H2,1H3,(H,21,24)(H,22,25)(H,23,26)