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

Systemtic Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(4-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(4-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=CN(N=C1)CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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