3-(cyclohexylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(cyclohexylcarbamothioylamino)benzoic acid Openeye Name: 3-(cyclohexylcarbamothioylamino)benzoic acid CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(cyclohexylcarbamothioylamino)benzoic acid Traditional Name: 3-(cyclohexylthiocarbamoylamino)benzoic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H18N2O2S/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,17,18)(H2,15,16,19)