N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C17H12BrClN2O2S2 MolecularWeight: 455.77638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C17H12BrClN2O2S2/c1-23-12-7-6-9(8-11(12)18)20-17(24)21-16(22)15-14(19)10-4-2-3-5-13(10)25-15/h2-8H,1H3,(H2,20,21,22,24)