5-bromanyl-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[4-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[4-(dimethylcarbamoyl)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-14(2)11-12-29-19-10-7-16(23)13-18(19)20(27)25-22(30)24-17-8-5-15(6-9-17)21(28)26(3)4/h5-10,13-14H,11-12H2,1-4H3,(H2,24,25,27,30)