2-[4-(cyclohexylcarbamoylamino)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(cyclohexylcarbamoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(cyclohexylcarbamoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-(cyclohexylcarbamoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(cyclohexylcarbamoylamino)phenyl]thio]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c18-14(19)10-21-13-8-6-12(7-9-13)17-15(20)16-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,18,19)(H2,16,17,20)