N-[(butanoylamino)carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[(butanoylamino)carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[(butanoylamino)carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: 3-(2-chlorophenyl)-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-(butyramidothiocarbamoyl)-3-(2-chlorophenyl)propionamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1Cl

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-5-13(20)17-18-14(21)16-12(19)9-8-10-6-3-4-7-11(10)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,20)(H2,16,18,19,21)