2-[(3-methylphenyl)carbamoylamino]-3-octylsulfanyl-propanoic acid

Systemtic Name: 2-[(3-methylphenyl)carbamoylamino]-3-octylsulfanyl-propanoic acid Openeye Name: 2-(m-tolylcarbamoylamino)-3-octylsulfanyl-propanoic acid CAS Name: 2-[[(3-methylanilino)-oxomethyl]amino]-3-(octylthio)propanoic acid IUPAC Name: 2-[(3-methylphenyl)carbamoylamino]-3-octylsulfanylpropanoic acid Traditional Name: 2-(m-tolylcarbamoylamino)-3-(octylthio)propionic acid Formula: C19H30N2O3S MolecularWeight: 366.5181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCSCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C19H30N2O3S/c1-3-4-5-6-7-8-12-25-14-17(18(22)23)21-19(24)20-16-11-9-10-15(2)13-16/h9-11,13,17H,3-8,12,14H2,1-2H3,(H,22,23)(H2,20,21,24)