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

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[3-(4-phenyl-1-piperazinyl)propylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[3-(4-phenylpiperazino)propylcarbamoyl]propyl]benzamide Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4O2S/c1-33-19-12-23(28-24(31)21-10-5-6-11-22(21)26)25(32)27-13-7-14-29-15-17-30(18-16-29)20-8-3-2-4-9-20/h2-6,8-11,23H,7,12-19H2,1H3,(H,27,32)(H,28,31)