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

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]propyl]benzamide Formula: C24H34N6O3S MolecularWeight: 486.63016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C24H34N6O3S/c1-33-21-8-4-3-7-19(21)22(31)28-20(9-18-34-2)23(32)25-12-6-13-29-14-16-30(17-15-29)24-26-10-5-11-27-24/h3-5,7-8,10-11,20H,6,9,12-18H2,1-2H3,(H,25,32)(H,28,31)