4-azanyl-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-amino-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-amino-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-amino-N-(4-methyl-5-piperonyl-thiazol-2-yl)-3-nitro-benzamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N4O5S/c1-10-17(7-11-2-5-15-16(6-11)28-9-27-15)29-19(21-10)22-18(24)12-3-4-13(20)14(8-12)23(25)26/h2-6,8H,7,9,20H2,1H3,(H,21,22,24)