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

Systemtic Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2,4-dichlorophenyl)methyl]-3-methyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2,4-dichlorobenzyl)-3-methyl-pyrazol-4-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18Cl2N4O2S2 MolecularWeight: 469.40782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2C)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2C)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C19H18Cl2N4O2S2/c1-10-6-14(18(26)27-3)17(29-10)23-19(28)22-16-9-25(24-11(16)2)8-12-4-5-13(20)7-15(12)21/h4-7,9H,8H2,1-3H3,(H2,22,23,28)