(3R,4S,6S)-4-isothiocyanato-6-methyl-1-(phenylmethyl)-3-prop-2-enyl-piperidin-2-one

Systemtic Name: (3R,4S,6S)-4-isothiocyanato-6-methyl-1-(phenylmethyl)-3-prop-2-enyl-piperidin-2-one Openeye Name: (3R,4S,6S)-3-allyl-1-benzyl-4-isothiocyanato-6-methyl-piperidin-2-one CAS Name: (3R,4S,6S)-4-isothiocyanato-6-methyl-1-(phenylmethyl)-3-prop-2-enyl-2-piperidinone IUPAC Name: (3R,4S,6S)-1-benzyl-4-isothiocyanato-6-methyl-3-prop-2-enylpiperidin-2-one Traditional Name: (3R,4S,6S)-3-allyl-1-benzyl-4-isothiocyanato-6-methyl-2-piperidone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=O)N1CC2=CC=CC=C2)CC=C)N=C=S

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C(=O)N1CC2=CC=CC=C2)CC=C)N=C=S

InChI

InChI=1S/C17H20N2OS/c1-3-7-15-16(18-12-21)10-13(2)19(17(15)20)11-14-8-5-4-6-9-14/h3-6,8-9,13,15-16H,1,7,10-11H2,2H3/t13-,15+,16-/m0/s1