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

Systemtic Name: 2-[[1-(4-bromophenyl)cyclopentyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[1-(4-bromophenyl)cyclopentyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C21H23BrN2O2S/c22-14-9-7-13(8-10-14)21(11-3-4-12-21)20(26)24-19-17(18(23)25)15-5-1-2-6-16(15)27-19/h7-10H,1-6,11-12H2,(H2,23,25)(H,24,26)