methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-chlorophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H14BrClN2O2S2 MolecularWeight: 481.81366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrClN2O2S2/c1-25-18(24)13-10-16(11-5-3-2-4-6-11)27-17(13)23-19(26)22-15-8-7-12(20)9-14(15)21/h2-10H,1H3,(H2,22,23,26)