3-bromanyl-N-[(3-ethanoylphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-ethanoylphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C)Br

InChI

InChI=1S/C22H25BrN2O3S/c1-3-4-5-6-12-28-20-11-10-17(14-19(20)23)21(27)25-22(29)24-18-9-7-8-16(13-18)15(2)26/h7-11,13-14H,3-6,12H2,1-2H3,(H2,24,25,27,29)