3-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate

Systemtic Name: 3-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate Openeye Name: 3-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanyl-butanoate CAS Name: 3-[[5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxopentyl]amino]-4-(phenylthio)butanoate IUPAC Name: 3-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-phenylsulfanylbutanoate Traditional Name: 3-[5-[4-[(E)-hydrazonomethyl]phenyl]pentanoylamino]-4-(phenylthio)butyrate Formula: C22H26N3O3S- MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)C=NN

Isomeric SMILES

C1=CC=C(C=C1)SCC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C22H27N3O3S/c23-24-15-18-12-10-17(11-13-18)6-4-5-9-21(26)25-19(14-22(27)28)16-29-20-7-2-1-3-8-20/h1-3,7-8,10-13,15,19H,4-6,9,14,16,23H2,(H,25,26)(H,27,28)/p-1/b24-15+