[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-piperidin-1-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-piperidin-1-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone CAS Name: [4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]-[4-(piperidine-1-carbonyl)piperazino]methanone Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S2/c1-15-14-31-20(22-15)32-18-6-5-16(13-17(18)26(29)30)19(27)23-9-11-25(12-10-23)21(28)24-7-3-2-4-8-24/h5-6,13-14H,2-4,7-12H2,1H3