1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-butanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one Formula: C22H34N4O2S MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)(C)C

InChI

InChI=1S/C22H34N4O2S/c1-17-16-22(2,3)23-21(29)26(17)10-6-9-20(27)25-13-11-24(12-14-25)18-7-5-8-19(15-18)28-4/h5,7-8,15,17H,6,9-14,16H2,1-4H3,(H,23,29)