methyl 5-ethyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H22N4O2S2 MolecularWeight: 450.57638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H22N4O2S2/c1-3-18-11-20(22(28)29-2)21(31-18)26-23(30)25-17-12-24-27(14-17)13-16-9-6-8-15-7-4-5-10-19(15)16/h4-12,14H,3,13H2,1-2H3,(H2,25,26,30)