5-(3-azanyl-2-oxidanylidene-4-sulfanyl-butyl)-2-propan-2-ylidene-cyclohexan-1-one

Systemtic Name: 5-(3-azanyl-2-oxidanylidene-4-sulfanyl-butyl)-2-propan-2-ylidene-cyclohexan-1-one Openeye Name: 5-(3-amino-2-oxo-4-sulfanyl-butyl)-2-isopropylidene-cyclohexanone CAS Name: 5-(3-amino-4-mercapto-2-oxobutyl)-2-propan-2-ylidene-1-cyclohexanone IUPAC Name: 5-(3-amino-2-oxo-4-sulfanylbutyl)-2-propan-2-ylidenecyclohexan-1-one Traditional Name: 5-(3-amino-2-keto-4-mercapto-butyl)-2-isopropylidene-cyclohexanone Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC(CC1=O)CC(=O)C(CS)N)C

Isomeric SMILES

CC(=C1CCC(CC1=O)CC(=O)C(CS)N)C

InChI

InChI=1S/C13H21NO2S/c1-8(2)10-4-3-9(5-12(10)15)6-13(16)11(14)7-17/h9,11,17H,3-7,14H2,1-2H3