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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-3-4-16-34-24-15-14-20(17-22(24)28)25(32)30-27(35)29-23-13-9-8-12-21(23)26(33)31(2)18-19-10-6-5-7-11-19/h5-15,17H,3-4,16,18H2,1-2H3,(H2,29,30,32,35)