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

Systemtic Name: ethyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H23ClN4O2S2/c1-3-32-24(31)22-21(17-9-5-4-6-10-17)16(2)34-23(22)28-25(33)27-20-13-14-30(29-20)15-18-11-7-8-12-19(18)26/h4-14H,3,15H2,1-2H3,(H2,27,28,29,33)