N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-bromanyl-5-methoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-bromo-5-methoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-bromo-5-methoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-bromo-5-methoxy-benzamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H25BrN2O2S/c1-25-16-6-7-18(21)17(12-16)20(24)22-13-19(15-8-11-26-14-15)23-9-4-2-3-5-10-23/h6-8,11-12,14,19H,2-5,9-10,13H2,1H3,(H,22,24)