methyl 6-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H15BrCl2N4O2S2 MolecularWeight: 570.3094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15BrCl2N4O2S2/c1-30-20(29)18-17(24)14-7-6-13(8-16(14)32-18)25-21(31)26-19-15(22)10-28(27-19)9-11-2-4-12(23)5-3-11/h2-8,10H,9H2,1H3,(H2,25,26,27,31)