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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S2/c1-10-8-27-18(19-10)28-16-5-2-11(6-13(16)21(23)24)17(22)20-12-3-4-14-15(7-12)26-9-25-14/h2-8H,9H2,1H3,(H,20,22)