3-bromanyl-4-hexoxy-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-3-4-5-11-18-36-26-17-16-22(19-24(26)30)27(34)32-29(37)31-25-15-10-9-14-23(25)28(35)33(2)20-21-12-7-6-8-13-21/h6-10,12-17,19H,3-5,11,18,20H2,1-2H3,(H2,31,32,34,37)