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

Systemtic Name: methyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H22N4O2S2 MolecularWeight: 498.61918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O2S2/c1-33-26(32)23-14-24(19-9-3-2-4-10-19)35-25(23)30-27(34)29-21-15-28-31(17-21)16-20-12-7-11-18-8-5-6-13-22(18)20/h2-15,17H,16H2,1H3,(H2,29,30,34)