N'-heptan-2-yl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]-2-oxidanyl-butanediamide

Systemtic Name: N'-heptan-2-yl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]-2-oxidanyl-butanediamide Openeye Name: 2-hydroxy-N'-(1-methylhexyl)-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]butanediamide CAS Name: N'-heptan-2-yl-2-hydroxy-N-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]butanediamide IUPAC Name: N'-heptan-2-yl-2-hydroxy-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]butanediamide Traditional Name: 2-hydroxy-N'-(1-methylhexyl)-N-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]succinamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CC(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCCCCC(C)NC(=O)CC(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C26H37N3O4S/c1-4-5-6-9-18(2)27-24(31)17-23(30)26(33)29-22(14-15-34-3)25(32)28-21-13-12-19-10-7-8-11-20(19)16-21/h7-8,10-13,16,18,22-23,30H,4-6,9,14-15,17H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)