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

Systemtic Name: methyl 2-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16BrClN4O2S2 MolecularWeight: 499.83224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H16BrClN4O2S2/c1-10-7-13(17(25)26-2)16(28-10)22-18(27)21-15-14(19)9-24(23-15)8-11-3-5-12(20)6-4-11/h3-7,9H,8H2,1-2H3,(H2,21,22,23,27)