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

Systemtic Name: N'-(4-hexoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(4-hexoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(4-hexoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(4-hexoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(4-hexoxybenzoyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C23H27N3O4S/c1-2-3-4-5-13-30-18-9-6-16(7-10-18)22(28)25-26-23(29)17-8-11-20-19(15-17)24-21(27)12-14-31-20/h6-11,15H,2-5,12-14H2,1H3,(H,24,27)(H,25,28)(H,26,29)