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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[4-(1-pyrazolyl)phenyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-pyrazol-1-ylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S2/c1-12-13(2)27-17(16(12)18(24)25-3)22-19(26)20-11-14-5-7-15(8-6-14)23-10-4-9-21-23/h4-10H,11H2,1-3H3,(H2,20,22,26)