[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(3-nitro-4-piperidino-phenyl)methanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C25H29N5O3S/c1-17-6-9-22-23(18(17)2)26-25(34-22)29-14-12-28(13-15-29)24(31)19-7-8-20(21(16-19)30(32)33)27-10-4-3-5-11-27/h6-9,16H,3-5,10-15H2,1-2H3