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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-nitroanilino)butanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-(4-nitroanilino)butyramide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c21-14-16-4-1-2-5-17(16)15-28-13-12-23-20(25)6-3-11-22-18-7-9-19(10-8-18)24(26)27/h1-2,4-5,7-10,22H,3,6,11-13,15H2,(H,23,25)