1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one

Systemtic Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Openeye Name: 1-[3-methyl-4-(m-tolyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one CAS Name: 1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone IUPAC Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Traditional Name: 1-[3-methyl-4-(m-tolyl)piperazino]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)(C)C

InChI

InChI=1S/C22H34N4OS/c1-16-7-6-8-19(13-16)25-12-11-24(15-18(25)3)20(27)9-10-26-17(2)14-22(4,5)23-21(26)28/h6-8,13,17-18H,9-12,14-15H2,1-5H3,(H,23,28)