4-[[5-(3-methylbutyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(3-methylbutyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(5-isopentyl-6-thioxo-1,3,5-thiadiazinan-3-yl)methyl]cyclohexanecarboxylic acid CAS Name: 4-[[5-(3-methylbutyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(3-methylbutyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(5-isoamyl-6-thioxo-1,3,5-thiadiazinan-3-yl)methyl]cyclohexanecarboxylic acid Formula: C16H28N2O2S2 MolecularWeight: 344.53572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CN(CSC1=S)CC2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)CCN1CN(CSC1=S)CC2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H28N2O2S2/c1-12(2)7-8-18-10-17(11-22-16(18)21)9-13-3-5-14(6-4-13)15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)