3-bromanyl-4-hexoxy-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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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)NC3=CC=CC(=C3)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-3-4-5-6-15-35-25-14-13-21(18-24(25)29)27(34)32-28(36)31-23-12-8-10-20(17-23)26(33)30-22-11-7-9-19(2)16-22/h7-14,16-18H,3-6,15H2,1-2H3,(H,30,33)(H2,31,32,34,36)