methyl 3-[(3,5-dimethylphenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3,5-dimethylphenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3,5-dimethylphenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3,5-dimethylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H20N2O2S/c1-11-7-12(2)9-15(8-11)19-18(23)20-16-10-14(17(21)22-4)6-5-13(16)3/h5-10H,1-4H3,(H2,19,20,23)