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

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2-[(4-methylbenzoyl)amino]-N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-[(4-methylbenzoyl)amino]-N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]-2-(p-toluoylamino)benzamide Formula: C28H32N6O3S MolecularWeight: 532.65708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C28H32N6O3S/c1-20-8-10-21(11-9-20)25(35)31-23-7-4-3-6-22(23)26(36)32-24(12-19-38-2)27(37)33-15-17-34(18-16-33)28-29-13-5-14-30-28/h3-11,13-14,24H,12,15-19H2,1-2H3,(H,31,35)(H,32,36)