3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-5-(4-methylphenyl)sulfanyl-pentanoate

Systemtic Name: 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-5-(4-methylphenyl)sulfanyl-pentanoate Openeye Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-(p-tolylsulfanyl)pentanoate CAS Name: 3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[(4-methylphenyl)thio]pentanoate IUPAC Name: 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-5-(4-methylphenyl)sulfanylpentanoate Traditional Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-(p-tolylthio)valerate Formula: C22H26N5O4S- MolecularWeight: 456.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(CC(=O)[O-])NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(CC(=O)[O-])NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

InChI

InChI=1S/C22H27N5O4S/c1-15-5-7-19(8-6-15)32-10-9-18(12-21(29)30)27-20(28)13-24-22(31)16-3-2-4-17(11-16)25-14-26-23/h2-8,11,14,18H,9-10,12-13,23H2,1H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/p-1