dimethyl 5-[[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(1-benzyl-4-chloro-pyrazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[4-chloro-1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-benzyl-4-chloropyrazol-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzyl-4-chloro-pyrazol-3-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H19ClN4O4S2/c1-11-14(18(26)28-2)17(31-15(11)19(27)29-3)23-20(30)22-16-13(21)10-25(24-16)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,22,23,24,30)