3-bromanyl-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-11-3-5-13(22(24)25)10-15(11)20-18(28)21-17(23)12-4-6-16(14(19)9-12)27-8-7-26-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,23,28)