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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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