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

Systemtic Name: ethyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H24N4O2S2 MolecularWeight: 512.64576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O2S2/c1-2-34-27(33)24-15-25(20-10-4-3-5-11-20)36-26(24)31-28(35)30-22-16-29-32(18-22)17-21-13-8-12-19-9-6-7-14-23(19)21/h3-16,18H,2,17H2,1H3,(H2,30,31,35)