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

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]propyl]benzamide Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H31ClN6O2S/c1-33-17-8-20(28-21(31)18-6-2-3-7-19(18)24)22(32)25-11-5-12-29-13-15-30(16-14-29)23-26-9-4-10-27-23/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3,(H,25,32)(H,28,31)