3-[(1S,2R,3E,5E)-2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzamide

Systemtic Name: 3-[(1S,2R,3E,5E)-2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzamide Openeye Name: 3-[(1S,2R,3E,5E)-2-(3-amino-3-oxo-propyl)sulfanyl-1-hydroxy-pentadeca-3,5-dienyl]benzamide CAS Name: 3-[(1S,2R,3E,5E)-2-[(3-amino-3-oxopropyl)thio]-1-hydroxypentadeca-3,5-dienyl]benzamide IUPAC Name: 3-[(1S,2R,3E,5E)-2-(3-amino-3-oxopropyl)sulfanyl-1-hydroxypentadeca-3,5-dienyl]benzamide Traditional Name: 3-[(1S,2R,3E,5E)-2-[(3-amino-3-keto-propyl)thio]-1-hydroxy-pentadeca-3,5-dienyl]benzamide Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C(=O)N)O)SCCC(=O)N

Isomeric SMILES

CCCCCCCCC/C=C/C=C/[C@H]([C@H](C1=CC=CC(=C1)C(=O)N)O)SCCC(=O)N

InChI

InChI=1S/C25H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(31-18-17-23(26)28)24(29)20-14-13-15-21(19-20)25(27)30/h10-16,19,22,24,29H,2-9,17-18H2,1H3,(H2,26,28)(H2,27,30)/b11-10+,16-12+/t22-,24+/m1/s1