3-methyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]coumarilamide Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c1-11-14-7-2-3-8-16(14)28-17(11)18(25)22-19(29)23-20-21-15(10-30-20)12-5-4-6-13(9-12)24(26)27/h2-10H,1H3,(H2,21,22,23,25,29)