1-(4-phenylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-butanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Traditional Name: 1-(4-phenylpiperazino)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-17-16-21(2,3)22-20(27)25(17)11-7-10-19(26)24-14-12-23(13-15-24)18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,22,27)