N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O3S/c1-20(2)18(11-5-3-4-6-12-18)14-19-17(22)13-25-16-9-7-15(8-10-16)21(23)24/h7-10H,3-6,11-14H2,1-2H3,(H,19,22)