phenethyl 3,3-di(piperidin-1-yl)prop-2-enedithioate

Systemtic Name: phenethyl 3,3-di(piperidin-1-yl)prop-2-enedithioate Openeye Name: phenethyl 3,3-bis(1-piperidyl)prop-2-enedithioate CAS Name: 3,3-bis(1-piperidinyl)-2-propenedithioic acid phenethyl ester IUPAC Name: phenethyl 3,3-di(piperidin-1-yl)prop-2-enedithioate Traditional Name: 3,3-dipiperidinoprop-2-enedithioic acid phenethyl ester Formula: C21H30N2S2 MolecularWeight: 374.6063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=CC(=S)SCCC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C(=CC(=S)SCCC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H30N2S2/c24-21(25-17-12-19-10-4-1-5-11-19)18-20(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1,4-5,10-11,18H,2-3,6-9,12-17H2