methyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(CC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H21FN2O4S/c1-24-14-8-9-17(25-2)15(11-14)21-19(27)22-16(18(23)26-3)10-12-4-6-13(20)7-5-12/h4-9,11,16H,10H2,1-3H3,(H2,21,22,27)