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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-4-29-19-10-7-16(23)13-18(19)21(28)24-22(31)26-25-20(27)15-5-8-17(9-6-15)30-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,27)(H2,24,26,28,31)