4-[(4-chlorophenyl)carbamothioylamino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)carbamothioylamino]butanoic acid Openeye Name: 4-[(4-chlorophenyl)carbamothioylamino]butanoic acid CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(4-chlorophenyl)carbamothioylamino]butanoic acid Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]butyric acid Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCCC(=O)O)Cl

InChI

InChI=1S/C11H13ClN2O2S/c12-8-3-5-9(6-4-8)14-11(17)13-7-1-2-10(15)16/h3-6H,1-2,7H2,(H,15,16)(H2,13,14,17)