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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-3-nitro-benzamide Openeye Name: N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]-3-nitro-benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]-3-nitrobenzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-3-nitrobenzamide Traditional Name: N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]-3-nitro-benzamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c1-31-13-6-17(23-18(27)15-4-2-5-16(14-15)26(29)30)19(28)24-9-11-25(12-10-24)20-21-7-3-8-22-20/h2-5,7-8,14,17H,6,9-13H2,1H3,(H,23,27)