4-[2-[3-(2-chlorophenyl)propanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[3-(2-chlorophenyl)propanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[3-(2-chlorophenyl)propanoylcarbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[3-(2-chlorophenyl)propanoylcarbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-[3-(2-chlorophenyl)propanoylthiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN4O3S/c22-17-9-5-4-8-16(17)10-11-19(28)24-21(30)26-25-20(29)13-12-18(27)23-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,27)(H,25,29)(H2,24,26,28,30)