N-[(4-bromophenyl)carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C17H12BrClN2O2S2 MolecularWeight: 455.77638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)Br)Cl

InChI

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