methyl 5-methyl-4-phenyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(3-pyrazol-1-ylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S2/c1-14-16(15-8-4-3-5-9-15)17(19(25)26-2)18(28-14)23-20(27)21-10-6-12-24-13-7-11-22-24/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H2,21,23,27)