N-[1-(4-azanylbutylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-2,2-dimethyl-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[1-(4-azanylbutylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-2,2-dimethyl-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[2-(4-aminobutylamino)-1-(benzylsulfanylmethyl)-2-oxo-ethyl]-3-benzylsulfanyl-2,2-dimethyl-propanamide CAS Name: N-[1-(4-aminobutylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-2,2-dimethyl-3-(phenylmethylthio)propanamide IUPAC Name: N-[1-(4-aminobutylamino)-3-benzylsulfanyl-1-oxopropan-2-yl]-3-benzylsulfanyl-2,2-dimethylpropanamide Traditional Name: N-[2-(4-aminobutylamino)-1-[(benzylthio)methyl]-2-keto-ethyl]-3-(benzylthio)-2,2-dimethyl-propionamide Formula: C26H37N3O2S2 MolecularWeight: 487.72088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCCCCN

Isomeric SMILES

CC(C)(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCCCCN

InChI

InChI=1S/C26H37N3O2S2/c1-26(2,20-33-18-22-13-7-4-8-14-22)25(31)29-23(24(30)28-16-10-9-15-27)19-32-17-21-11-5-3-6-12-21/h3-8,11-14,23H,9-10,15-20,27H2,1-2H3,(H,28,30)(H,29,31)