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

Systemtic Name: methyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H24N4O2S2/c1-17-8-6-7-11-19(17)16-29-13-12-22(28-29)26-25(32)27-23-21(24(30)31-2)15-20(33-23)14-18-9-4-3-5-10-18/h3-13,15H,14,16H2,1-2H3,(H2,26,27,28,32)