2-[(4-bromophenyl)carbonylamino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H18BrClN2O2S MolecularWeight: 489.81252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18BrClN2O2S/c23-14-7-5-13(6-8-14)20(27)26-22-19(17-3-1-2-4-18(17)29-22)21(28)25-16-11-9-15(24)10-12-16/h5-12H,1-4H2,(H,25,28)(H,26,27)