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

Systemtic Name: methyl 4,5-dimethyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[1-(p-tolylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-(4-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S2/c1-12-5-7-15(8-6-12)10-24-11-16(9-21-24)22-20(27)23-18-17(19(25)26-4)13(2)14(3)28-18/h5-9,11H,10H2,1-4H3,(H2,22,23,27)