N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O6S/c1-25-13-6-9(7-14(26-2)15(13)27-3)16(22)20-17(28)19-12-5-4-10(21(23)24)8-11(12)18/h4-8H,1-3H3,(H2,19,20,22,28)