3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O2S/c1-16-5-3-6-17(15-16)19(27)24-18(7-14-29-2)20(28)25-10-12-26(13-11-25)21-22-8-4-9-23-21/h3-6,8-9,15,18H,7,10-14H2,1-2H3,(H,24,27)