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

Systemtic Name: ethyl 2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C31H30N4O2S2 MolecularWeight: 554.7255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C31H30N4O2S2/c1-4-37-30(36)27-18-25(17-22-11-6-5-7-12-22)39-29(27)33-31(38)32-28-20(2)34-35(21(28)3)19-24-15-10-14-23-13-8-9-16-26(23)24/h5-16,18H,4,17,19H2,1-3H3,(H2,32,33,38)