3-bromanyl-N-[(2,3-dimethylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2,3-dimethylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2,3-dimethylphenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2S/c1-13(2)10-11-26-19-9-8-16(12-17(19)22)20(25)24-21(27)23-18-7-5-6-14(3)15(18)4/h5-9,12-13H,10-11H2,1-4H3,(H2,23,24,25,27)