1-azanyl-5-(butylamino)-2,6-dimethyl-6-methylsulfanyl-heptan-4-one

Systemtic Name: 1-azanyl-5-(butylamino)-2,6-dimethyl-6-methylsulfanyl-heptan-4-one Openeye Name: 1-amino-5-(butylamino)-2,6-dimethyl-6-methylsulfanyl-heptan-4-one CAS Name: 1-amino-5-(butylamino)-2,6-dimethyl-6-(methylthio)-4-heptanone IUPAC Name: 1-amino-5-(butylamino)-2,6-dimethyl-6-methylsulfanylheptan-4-one Traditional Name: 1-amino-5-(butylamino)-2,6-dimethyl-6-(methylthio)heptan-4-one Formula: C14H30N2OS MolecularWeight: 274.4658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C(=O)CC(C)CN)C(C)(C)SC

Isomeric SMILES

CCCCNC(C(=O)CC(C)CN)C(C)(C)SC

InChI

InChI=1S/C14H30N2OS/c1-6-7-8-16-13(14(3,4)18-5)12(17)9-11(2)10-15/h11,13,16H,6-10,15H2,1-5H3