1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(sulfanylmethylperoxyamino)-2,1-benzothiazol-3-yl]amino]urea

Systemtic Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(sulfanylmethylperoxyamino)-2,1-benzothiazol-3-yl]amino]urea Openeye Name: 1-[6-methyl-1-(3-methylhexyl)nonyl]-3-[[5-(sulfanylmethylperoxyamino)-2,1-benzothiazol-3-yl]amino]urea CAS Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(mercaptomethyldioxyamino)-2,1-benzothiazol-3-yl]amino]urea IUPAC Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(sulfanylmethylperoxyamino)-2,1-benzothiazol-3-yl]amino]urea Traditional Name: 1-[[5-(mercaptomethylperoxyamino)-2,1-benzothiazol-3-yl]amino]-3-[6-methyl-1-(3-methylhexyl)nonyl]urea Formula: C26H45N5O3S2 MolecularWeight: 539.7972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCCC(CCC(C)CCC)NC(=O)NNC1=C2C=C(C=CC2=NS1)NOOCS

Isomeric SMILES

CCCC(C)CCCCC(CCC(C)CCC)NC(=O)NNC1=C2C=C(C=CC2=NS1)NOOCS

InChI

InChI=1S/C26H45N5O3S2/c1-5-9-19(3)11-7-8-12-21(14-13-20(4)10-6-2)27-26(32)29-28-25-23-17-22(30-34-33-18-35)15-16-24(23)31-36-25/h15-17,19-21,28,30,35H,5-14,18H2,1-4H3,(H2,27,29,32)