N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-[(2-nitrophenyl)amino]butanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-[(2-nitrophenyl)amino]butanamide Openeye Name: 4-(2-nitroanilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]butanamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-(2-nitroanilino)butanamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-(2-nitroanilino)butanamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-4-(2-nitroanilino)butyramide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-16-8-10-17(11-9-16)15-27-14-13-22-20(24)7-4-12-21-18-5-2-3-6-19(18)23(25)26/h2-3,5-6,8-11,21H,4,7,12-15H2,1H3,(H,22,24)