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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)10-11-29-16-7-4-14(5-8-16)19(26)24-25-21(30)23-20(27)17-12-15(22)6-9-18(17)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,24,26)(H2,23,25,27,30)