2-(tert-butylamino)-4,4-dimethyl-1-(phenylmethylsulfanyl)pentan-3-one

Systemtic Name: 2-(tert-butylamino)-4,4-dimethyl-1-(phenylmethylsulfanyl)pentan-3-one Openeye Name: 1-benzylsulfanyl-2-(tert-butylamino)-4,4-dimethyl-pentan-3-one CAS Name: 2-(tert-butylamino)-4,4-dimethyl-1-(phenylmethylthio)-3-pentanone IUPAC Name: 1-benzylsulfanyl-2-(tert-butylamino)-4,4-dimethylpentan-3-one Traditional Name: 1-(benzylthio)-2-(tert-butylamino)-4,4-dimethyl-pentan-3-one Formula: C18H29NOS MolecularWeight: 307.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CSCC1=CC=CC=C1)NC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C(CSCC1=CC=CC=C1)NC(C)(C)C

InChI

InChI=1S/C18H29NOS/c1-17(2,3)16(20)15(19-18(4,5)6)13-21-12-14-10-8-7-9-11-14/h7-11,15,19H,12-13H2,1-6H3