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

Systemtic Name: ethyl 5-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26N4O2S2/c1-3-35-28(34)26-25(21-11-5-4-6-12-21)19(2)37-27(26)32-29(36)31-23-16-30-33(18-23)17-22-14-9-13-20-10-7-8-15-24(20)22/h4-16,18H,3,17H2,1-2H3,(H2,31,32,36)