N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O5S/c31-24(18-4-7-22-23(16-18)35-15-14-34-22)26-25(36)29-12-10-27(11-13-29)19-5-6-20(30(32)33)21(17-19)28-8-2-1-3-9-28/h4-7,16-17H,1-3,8-15H2,(H,26,31,36)