methyl 4-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]amino]benzoate Traditional Name: 4-[[[2-(2,6-dimethylanilino)-2-keto-ethyl]-ethyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-24(13-18(25)23-19-14(2)7-6-8-15(19)3)21(28)22-17-11-9-16(10-12-17)20(26)27-4/h6-12H,5,13H2,1-4H3,(H,22,28)(H,23,25)