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

Systemtic Name: ethyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(4-bromobenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H23BrN4O2S2 MolecularWeight: 555.50972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN4O2S2/c1-2-32-24(31)21-15-20(14-17-6-4-3-5-7-17)34-23(21)28-25(33)27-22-12-13-30(29-22)16-18-8-10-19(26)11-9-18/h3-13,15H,2,14,16H2,1H3,(H2,27,28,29,33)