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

Systemtic Name: N'-(4-butoxy-3-methoxy-phenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(4-butoxy-3-methoxy-benzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(4-butoxy-3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(4-butoxy-3-methoxy-benzoyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

InChI

InChI=1S/C22H25N3O5S/c1-3-4-10-30-17-7-5-15(13-18(17)29-2)22(28)25-24-21(27)14-6-8-19-16(12-14)23-20(26)9-11-31-19/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)