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

Systemtic Name: dimethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC)C

InChI

InChI=1S/C22H24N4O4S2/c1-12-9-13(2)26(25-12)11-15-7-6-8-16(10-15)23-22(31)24-19-17(20(27)29-4)14(3)18(32-19)21(28)30-5/h6-10H,11H2,1-5H3,(H2,23,24,31)