2-[[2-[(4-bromophenyl)amino]-2-sulfanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2-[(4-bromophenyl)amino]-2-sulfanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromoanilino)-2-thioxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-1-oxo-2-sulfanylideneethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromoanilino)-2-sulfanylideneacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-thioxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=S)NC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=S)NC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C17H16BrN3O2S2/c18-9-5-7-10(8-6-9)20-16(24)15(23)21-17-13(14(19)22)11-3-1-2-4-12(11)25-17/h5-8H,1-4H2,(H2,19,22)(H,20,24)(H,21,23)