N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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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=C3C(=O)C)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S2/c1-10-8-30-20(21-10)31-18-4-3-12(5-15(18)23(26)27)19(25)22-14-7-17-16(28-9-29-17)6-13(14)11(2)24/h3-8H,9H2,1-2H3,(H,22,25)