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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-hexoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(3-hexoxyphenyl)thiocarbamoyl]benzamide Formula: C26H35BrN2O3S MolecularWeight: 535.5367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O3S/c1-3-5-7-9-16-31-22-13-11-12-21(19-22)28-26(33)29-25(30)20-14-15-24(23(27)18-20)32-17-10-8-6-4-2/h11-15,18-19H,3-10,16-17H2,1-2H3,(H2,28,29,30,33)