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

Systemtic Name: 2-chloranyl-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]butanamide Openeye Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]butanamide CAS Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]butanamide IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]butanamide Traditional Name: 2-chloro-N-(2,6-diethylphenyl)-N-[1-(1,3-dithiepan-2-yl)ethyl]butyramide Formula: C21H32ClNOS2 MolecularWeight: 414.06788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(C(C)C2SCCCCS2)C(=O)C(CC)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(C(C)C2SCCCCS2)C(=O)C(CC)Cl

InChI

InChI=1S/C21H32ClNOS2/c1-5-16-11-10-12-17(6-2)19(16)23(20(24)18(22)7-3)15(4)21-25-13-8-9-14-26-21/h10-12,15,18,21H,5-9,13-14H2,1-4H3