5-(azepan-1-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-phenyl-thiophene-2-carboxamide

Systemtic Name: 5-(azepan-1-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-phenyl-thiophene-2-carboxamide Openeye Name: 5-(azepan-1-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-4-phenyl-thiophene-2-carboxamide CAS Name: 5-(1-azepanyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-4-phenyl-2-thiophenecarboxamide IUPAC Name: 5-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-4-phenylthiophene-2-carboxamide Traditional Name: 5-(azepan-1-yl)-N-(5-bromo-2-methoxy-benzyl)-4-phenyl-thiophene-2-carboxamide Formula: C25H27BrN2O2S MolecularWeight: 499.46308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O2S/c1-30-22-12-11-20(26)15-19(22)17-27-24(29)23-16-21(18-9-5-4-6-10-18)25(31-23)28-13-7-2-3-8-14-28/h4-6,9-12,15-16H,2-3,7-8,13-14,17H2,1H3,(H,27,29)