N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-3-methyl-coumarilamide Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4S/c1-9-11-4-2-3-5-14(11)25-15(9)16(22)20-17(26)19-13-7-6-10(21(23)24)8-12(13)18/h2-8H,1H3,(H2,19,20,22,26)