methyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(3-methylpyrazol-1-yl)propylthiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1)CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O2S2/c1-14-10-13-25(24-14)12-7-11-22-21(28)23-19-18(20(26)27-3)17(15(2)29-19)16-8-5-4-6-9-16/h4-6,8-10,13H,7,11-12H2,1-3H3,(H2,22,23,28)