N-(2-methyl-5-nitro-phenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofurancarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[[(4-methylthiazol-2-yl)thio]methyl]coumarilamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

InChI

InChI=1S/C21H17N3O4S2/c1-12-7-8-14(24(26)27)9-17(12)23-20(25)19-16(11-30-21-22-13(2)10-29-21)15-5-3-4-6-18(15)28-19/h3-10H,11H2,1-2H3,(H,23,25)