N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-3-nitro-4-piperidino-benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c26-20(23-21(31)22-15-5-7-18-19(13-15)30-11-10-29-18)14-4-6-16(17(12-14)25(27)28)24-8-2-1-3-9-24/h4-7,12-13H,1-3,8-11H2,(H2,22,23,26,31)