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

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)(C)C

InChI

InChI=1S/C21H30N4O2S/c1-15-13-21(3,4)22-20(28)25(15)14-19(27)24-11-9-23(10-12-24)18-7-5-17(6-8-18)16(2)26/h5-8,15H,9-14H2,1-4H3,(H,22,28)