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

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CCCCCC1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1(CCCCCC1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O3S/c1-15(26-17-10-8-16(9-11-17)22(24)25)18(23)20-14-19(21(2)3)12-6-4-5-7-13-19/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,23)