N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O3S/c1-10(2)11-3-5-12(6-4-11)16(22)20-17(25)19-15-8-7-13(21(23)24)9-14(15)18/h3-10H,1-2H3,(H2,19,20,22,25)