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

Systemtic Name: 3-bromanyl-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[3-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]thiocarbamoyl]-4-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)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C)Br

Isomeric SMILES

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

InChI

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