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

Systemtic Name: 3-bromanyl-4-methyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(3-isopentyloxyphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-13(2)9-10-25-17-6-4-5-16(12-17)22-20(26)23-19(24)15-8-7-14(3)18(21)11-15/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23,24,26)