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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6S/c1-9-5-13(22(24)25)11(19)8-12(9)20-18(29)21-17(23)10-6-14(26-2)16(28-4)15(7-10)27-3/h5-8H,1-4H3,(H2,20,21,23,29)