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

Systemtic Name: 3-bromanyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-18(2)17-34-24-13-12-20(15-23(24)28)25(32)30-27(35)29-22-11-7-10-21(14-22)26(33)31(3)16-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H2,29,30,32,35)