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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)carbamoyl]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=C(C=C2)C(=O)N(C)C3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrN3O3S/c1-3-4-5-9-18-35-25-17-14-21(19-24(25)29)26(33)31-28(36)30-22-15-12-20(13-16-22)27(34)32(2)23-10-7-6-8-11-23/h6-8,10-17,19H,3-5,9,18H2,1-2H3,(H2,30,31,33,36)