[4-tert-butyl-2-(phenylmethylsulfanyl)cyclohexyl]methanamine

Systemtic Name: [4-tert-butyl-2-(phenylmethylsulfanyl)cyclohexyl]methanamine Openeye Name: (2-benzylsulfanyl-4-tert-butyl-cyclohexyl)methanamine CAS Name: [4-tert-butyl-2-(phenylmethylthio)cyclohexyl]methanamine IUPAC Name: (2-benzylsulfanyl-4-tert-butylcyclohexyl)methanamine Traditional Name: [2-(benzylthio)-4-tert-butyl-cyclohexyl]methylamine Formula: C18H29NS MolecularWeight: 291.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)SCC2=CC=CC=C2)CN

Isomeric SMILES

CC(C)(C)C1CCC(C(C1)SCC2=CC=CC=C2)CN

InChI

InChI=1S/C18H29NS/c1-18(2,3)16-10-9-15(12-19)17(11-16)20-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13,19H2,1-3H3