N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]valeramide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-4-12(19)16-14(21)18-17-13(20)9-10-5-7-11(15)8-6-10/h5-8H,2-4,9H2,1H3,(H,17,20)(H2,16,18,19,21)