[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]-[4-methyl-2-(1-piperidyl)thiazol-5-yl]methanone CAS Name: [4-[3-(1-imidazolyl)propylamino]-3-nitrophenyl]-[4-methyl-2-(1-piperidinyl)-5-thiazolyl]methanone IUPAC Name: [4-(3-imidazol-1-ylpropylamino)-3-nitrophenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]-(4-methyl-2-piperidino-thiazol-5-yl)methanone Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3S/c1-16-21(32-22(25-16)27-11-3-2-4-12-27)20(29)17-6-7-18(19(14-17)28(30)31)24-8-5-10-26-13-9-23-15-26/h6-7,9,13-15,24H,2-5,8,10-12H2,1H3