2-(4-bromophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O2S/c18-14-6-8-15(9-7-14)23-13-16(21)19-10-4-12-20-11-3-1-2-5-17(20)22/h6-9H,1-5,10-13H2,(H,19,21)