N-[1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-[(4-methylphenyl)sulfanylperoxy-phenyl-amino]butanamide

Systemtic Name: N-[1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-[(4-methylphenyl)sulfanylperoxy-phenyl-amino]butanamide Openeye Name: N-[2-(3-aminopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-[N-(p-tolylsulfanylperoxy)anilino]butanamide CAS Name: 4-methylbenzenesulfenic acid (N-[4-[[1-(3-aminopropylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxobutyl]anilino)oxy ester IUPAC Name: N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(N-(4-methylphenyl)sulfanylperoxyanilino)butanamide Traditional Name: N-[2-(3-aminopropylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-4-(N-(p-tolylthio)peroxyanilino)butyramide Formula: C33H38N4O4S MolecularWeight: 586.74422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SOON(CCCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCN)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SOON(CCCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCN)C4=CC=CC=C4

InChI

InChI=1S/C33H38N4O4S/c1-25-14-18-30(19-15-25)42-41-40-37(29-11-3-2-4-12-29)22-7-13-32(38)36-31(33(39)35-21-8-20-34)24-26-16-17-27-9-5-6-10-28(27)23-26/h2-6,9-12,14-19,23,31H,7-8,13,20-22,24,34H2,1H3,(H,35,39)(H,36,38)