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

Systemtic Name: ethyl 5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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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=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H26N4O2S2/c1-4-32-25(31)23-22(19-11-6-5-7-12-19)18(3)34-24(23)29-26(33)28-21-14-27-30(16-21)15-20-13-9-8-10-17(20)2/h5-14,16H,4,15H2,1-3H3,(H2,28,29,33)