[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-(3-nitro-4-piperidino-phenyl)methanone Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O4S/c1-2-34-19-7-8-20-23(17-19)35-25(26-20)29-14-12-28(13-15-29)24(31)18-6-9-21(22(16-18)30(32)33)27-10-4-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3