3-bromanyl-N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(2-nitroanilino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN3O4S/c1-10(2)25-15-8-7-11(9-12(15)18)16(22)20-17(26)19-13-5-3-4-6-14(13)21(23)24/h3-10H,1-2H3,(H2,19,20,22,26)