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

Systemtic Name: ethyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C29H26N4O2S2 MolecularWeight: 526.67234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26N4O2S2/c1-2-35-28(34)26-16-24(15-20-9-4-3-5-10-20)37-27(26)32-29(36)31-23-17-30-33(19-23)18-22-13-8-12-21-11-6-7-14-25(21)22/h3-14,16-17,19H,2,15,18H2,1H3,(H2,31,32,36)