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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-4-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=CC(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

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