2-chloranyl-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]pentanamide

Systemtic Name: 2-chloranyl-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]pentanamide Openeye Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]pentanamide CAS Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]pentanamide IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]pentanamide Traditional Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]valeramide Formula: C22H34ClNOS2 MolecularWeight: 428.09446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(C1=C(C=CC=C1CC)CC)C(C)C2SCCCCS2)Cl

Isomeric SMILES

CCCC(C(=O)N(C1=C(C=CC=C1CC)CC)C(C)C2SCCCCS2)Cl

InChI

InChI=1S/C22H34ClNOS2/c1-5-11-19(23)21(25)24(16(4)22-26-14-8-9-15-27-22)20-17(6-2)12-10-13-18(20)7-3/h10,12-13,16,19,22H,5-9,11,14-15H2,1-4H3