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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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