N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-3-morpholin-4-yl-propan-1-amine

Systemtic Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-3-morpholin-4-yl-propan-1-amine Openeye Name: 3-morpholino-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]propan-1-amine CAS Name: N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-3-(4-morpholinyl)-1-propanamine IUPAC Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-3-morpholin-4-ylpropan-1-amine Traditional Name: 3-morpholinopropyl-[5-nitro-2-(p-tolylthio)benzyl]amine Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CNCCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CNCCCN3CCOCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-3-6-20(7-4-17)28-21-8-5-19(24(25)26)15-18(21)16-22-9-2-10-23-11-13-27-14-12-23/h3-8,15,22H,2,9-14,16H2,1H3