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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)(C)C

InChI

InChI=1S/C21H32N4O2S/c1-16-15-21(2,3)22-20(28)25(16)10-9-19(26)24-13-11-23(12-14-24)17-5-7-18(27-4)8-6-17/h5-8,16H,9-15H2,1-4H3,(H,22,28)