1-[4-(phenylmethyl)piperidin-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CC(=O)N2CCC(CC2)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CC(=O)N2CCC(CC2)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H31N3OS/c1-16-14-21(2,3)22-20(26)24(16)15-19(25)23-11-9-18(10-12-23)13-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,22,26)