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

Systemtic Name: dimethyl 5-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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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)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S2/c1-12-9-7-8-10-16(12)11-27-15(4)18(14(3)26-27)24-23(32)25-20-17(21(28)30-5)13(2)19(33-20)22(29)31-6/h7-10H,11H2,1-6H3,(H2,24,25,32)