methyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-chloro-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H21ClN4O2S2 MolecularWeight: 497.03214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O2S2/c1-15-20(17-8-4-3-5-9-17)21(23(30)31-2)22(33-15)28-24(32)27-19-10-6-7-16(11-19)13-29-14-18(25)12-26-29/h3-12,14H,13H2,1-2H3,(H2,27,28,32)