methyl 2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C)C

InChI

InChI=1S/C23H28N4O2S2/c1-7-18-16(5)31-21(19(18)22(28)29-6)25-23(30)24-20-14(3)26-27(15(20)4)12-17-11-9-8-10-13(17)2/h8-11H,7,12H2,1-6H3,(H2,24,25,30)