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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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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)OCCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-12(2)9-10-28-18-8-7-14(11-15(18)21)19(25)23-20(29)22-16-5-4-6-17(13(16)3)24(26)27/h4-8,11-12H,9-10H2,1-3H3,(H2,22,23,25,29)