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

Systemtic Name: 5-bromanyl-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[4-(diethylcarbamoyl)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O3S/c1-5-28(6-2)23(30)17-7-10-19(11-8-17)26-24(32)27-22(29)20-15-18(25)9-12-21(20)31-14-13-16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H2,26,27,29,32)