dimethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[4-(1-pyrazolyl)phenyl]methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-pyrazol-1-ylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

InChI

InChI=1S/C20H20N4O4S2/c1-12-15(18(25)27-2)17(30-16(12)19(26)28-3)23-20(29)21-11-13-5-7-14(8-6-13)24-10-4-9-22-24/h4-10H,11H2,1-3H3,(H2,21,23,29)