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

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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