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

Systemtic Name: methyl 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[1-(p-tolylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(4-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H24N4O2S2/c1-16-9-11-18(12-10-16)14-29-15-20(13-26-29)27-25(32)28-23-22(24(30)31-3)21(17(2)33-23)19-7-5-4-6-8-19/h4-13,15H,14H2,1-3H3,(H2,27,28,32)