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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C5=CC=CC=C5

InChI

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