ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H27BrN4O2S2 MolecularWeight: 583.56288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H27BrN4O2S2/c1-5-34-26(33)23-22(20-9-7-6-8-10-20)18(4)36-25(23)30-27(35)29-24-16(2)31-32(17(24)3)15-19-11-13-21(28)14-12-19/h6-14H,5,15H2,1-4H3,(H2,29,30,35)