1-[4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenyl]piperazino]ethanone Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4S/c1-17(31)27-12-14-28(15-13-27)21-7-6-19(16-22(21)30(33)34)25(32)29-10-8-18(9-11-29)24-26-20-4-2-3-5-23(20)35-24/h2-7,16,18H,8-15H2,1H3