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

Systemtic Name: 3-bromanyl-N-[(4-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(4-cyanoanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-cyanophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2S/c1-2-3-4-5-12-27-19-11-8-16(13-18(19)22)20(26)25-21(28)24-17-9-6-15(14-23)7-10-17/h6-11,13H,2-5,12H2,1H3,(H2,24,25,26,28)