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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C21H24BrN3O5S/c1-3-4-5-6-11-30-19-10-7-14(12-16(19)22)20(26)24-21(31)23-17-9-8-15(29-2)13-18(17)25(27)28/h7-10,12-13H,3-6,11H2,1-2H3,(H2,23,24,26,31)