N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[1-(p-tolyl)propyl]propanamide CAS Name: N-[1-(4-methylphenyl)propyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[1-(p-tolyl)propyl]propionamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-4-18(15-7-5-13(2)6-8-15)20-19(22)14(3)25-17-11-9-16(10-12-17)21(23)24/h5-12,14,18H,4H2,1-3H3,(H,20,22)