2-(8-chloranylnaphthalen-1-yl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c22-17-9-4-7-16-8-5-10-18(21(16)17)27-15-19(25)23-12-6-14-24-13-3-1-2-11-20(24)26/h4-5,7-10H,1-3,6,11-15H2,(H,23,25)