3-bromanyl-N-[(2-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2-ethoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2-ethoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-(o-phenetylthiocarbamoyl)benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-3-5-6-9-14-28-19-13-12-16(15-17(19)23)21(26)25-22(29)24-18-10-7-8-11-20(18)27-4-2/h7-8,10-13,15H,3-6,9,14H2,1-2H3,(H2,24,25,26,29)