N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(2-furylmethyl)-2-(4-nitrophenyl)sulfanyl-N-(p-tolyl)propanamide CAS Name: N-(2-furanylmethyl)-N-(4-methylphenyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2-furfuryl)-2-[(4-nitrophenyl)thio]-N-(p-tolyl)propionamide Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S/c1-15-5-7-17(8-6-15)22(14-19-4-3-13-27-19)21(24)16(2)28-20-11-9-18(10-12-20)23(25)26/h3-13,16H,14H2,1-2H3