2-chloranyl-N-[1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[2-[4-(m-tolyl)piperazin-1-yl]ethylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[1-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[2-[4-(m-tolyl)piperazino]ethylcarbamoyl]propyl]benzamide Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H33ClN4O2S/c1-19-6-5-7-20(18-19)30-15-13-29(14-16-30)12-11-27-25(32)23(10-17-33-2)28-24(31)21-8-3-4-9-22(21)26/h3-9,18,23H,10-17H2,1-2H3,(H,27,32)(H,28,31)