15-[[2-(4-azanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-15-oxidanylidene-pentadecanoic acid

Systemtic Name: 15-[[2-(4-azanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-15-oxidanylidene-pentadecanoic acid Openeye Name: 15-[2-(4-amino-4-oxo-butyl)sulfanylanilino]-15-oxo-pentadecanoic acid CAS Name: 15-[2-[(4-amino-4-oxobutyl)thio]anilino]-15-oxopentadecanoic acid IUPAC Name: 15-[2-(4-amino-4-oxobutyl)sulfanylanilino]-15-oxopentadecanoic acid Traditional Name: 15-[2-[(4-amino-4-keto-butyl)thio]anilino]-15-keto-pentadecanoic acid Formula: C25H40N2O4S MolecularWeight: 464.6611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCC(=O)O)SCCCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCC(=O)O)SCCCC(=O)N

InChI

InChI=1S/C25H40N2O4S/c26-23(28)17-14-20-32-22-16-13-12-15-21(22)27-24(29)18-10-8-6-4-2-1-3-5-7-9-11-19-25(30)31/h12-13,15-16H,1-11,14,17-20H2,(H2,26,28)(H,27,29)(H,30,31)