3-[2-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate

Systemtic Name: 3-[2-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate Openeye Name: 3-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate CAS Name: 3-[[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxopentyl]amino]-4-(phenylthio)butanoate IUPAC Name: 3-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanylbutanoate Traditional Name: 3-[2-[4-[(E)-hydrazonomethyl]phenyl]pentanoylamino]-4-(phenylthio)butyrate Formula: C22H26N3O3S- MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C=NN)C(=O)NC(CC(=O)[O-])CSC2=CC=CC=C2

Isomeric SMILES

CCCC(C1=CC=C(C=C1)/C=N/N)C(=O)NC(CC(=O)[O-])CSC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-2-6-20(17-11-9-16(10-12-17)14-24-23)22(28)25-18(13-21(26)27)15-29-19-7-4-3-5-8-19/h3-5,7-12,14,18,20H,2,6,13,15,23H2,1H3,(H,25,28)(H,26,27)/p-1/b24-14+