N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CCCCC1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1(CCCCC1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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