methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17ClN4O2S2 MolecularWeight: 420.93618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C18H17ClN4O2S2/c1-11-7-14(17(24)25-2)16(27-11)22-18(26)21-13-8-20-23(10-13)9-12-5-3-4-6-15(12)19/h3-8,10H,9H2,1-2H3,(H2,21,22,26)