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

Systemtic Name: ethyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H26N4O2S2/c1-3-32-25(31)23-14-22(13-19-10-5-4-6-11-19)34-24(23)29-26(33)28-21-15-27-30(17-21)16-20-12-8-7-9-18(20)2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H2,28,29,33)