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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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