N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-chloranyl-benzamide

Systemtic Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-chloranyl-benzamide Openeye Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-chloro-benzamide CAS Name: N-[2-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-chlorobenzamide IUPAC Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide Traditional Name: N-[2-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-chloro-benzamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-2-3-5-14-8-10-17(11-9-14)23-20(28)25-24-18(26)13-22-19(27)15-6-4-7-16(21)12-15/h4,6-12H,2-3,5,13H2,1H3,(H,22,27)(H,24,26)(H2,23,25,28)