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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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