4-[2-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-(3-chloro-6-methoxy-benzothiophene-2-carbonyl)hydrazino]-4-oxo-butanamide CAS Name: 4-[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-(3-chloro-6-methoxy-benzothiophene-2-carbonyl)hydrazino]-4-keto-butyramide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=O)CCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=O)CCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-29-14-7-8-15-16(11-14)30-20(19(15)22)21(28)25-24-18(27)10-9-17(26)23-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H,24,27)(H,25,28)