4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-N-(4-ethoxyphenyl)-4-oxo-butanamide CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-N-(4-ethoxyphenyl)-4-oxobutanamide IUPAC Name: 4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide Traditional Name: 4-[N'-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-4-keto-N-p-phenetyl-butyramide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-2-29-14-9-7-13(8-10-14)23-17(26)11-12-18(27)24-25-21(28)20-19(22)15-5-3-4-6-16(15)30-20/h3-10H,2,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)