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

Systemtic Name: methyl 6-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-3-chloro-phenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-3-chlorophenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H11BrCl2N2O2S2 MolecularWeight: 490.22144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Br)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Br)Cl)Cl

InChI

InChI=1S/C17H11BrCl2N2O2S2/c1-24-16(23)15-14(20)10-4-2-9(7-13(10)26-15)22-17(25)21-8-3-5-11(18)12(19)6-8/h2-7H,1H3,(H2,21,22,25)