4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C22H25N7O3S2 MolecularWeight: 499.609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O3S2/c1-16-15-33-22(26-16)34-19-5-4-17(14-18(19)29(31)32)20(30)23-8-3-9-27-10-12-28(13-11-27)21-24-6-2-7-25-21/h2,4-7,14-15H,3,8-13H2,1H3,(H,23,30)