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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-isoamoxy-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrN3O4S/c1-12(2)8-9-27-15-5-3-4-13(10-15)18(24)22-19(28)21-17-7-6-14(23(25)26)11-16(17)20/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,24,28)