N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-2-[(4-nitrophenyl)thio]-N-propylpropanamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-nitrophenyl)sulfanyl-N-propylpropanamide Traditional Name: N-[2-keto-2-(o-toluidino)ethyl]-2-[(4-nitrophenyl)thio]-N-propyl-propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)21(26)16(3)29-18-11-9-17(10-12-18)24(27)28/h5-12,16H,4,13-14H2,1-3H3,(H,22,25)