N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(thian-4-ylamino)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(thian-4-ylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(4-thianylamino)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(thian-4-ylamino)benzamide Traditional Name: 5-nitro-N-piperonyl-2-(tetrahydrothiopyran-4-ylamino)benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5S/c24-20(21-11-13-1-4-18-19(9-13)28-12-27-18)16-10-15(23(25)26)2-3-17(16)22-14-5-7-29-8-6-14/h1-4,9-10,14,22H,5-8,11-12H2,(H,21,24)