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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C26H34BrN3O4S/c1-4-5-6-7-15-34-23-13-10-20(17-22(23)27)24(31)28-26(35)30-29-25(32)19-8-11-21(12-9-19)33-16-14-18(2)3/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,29,32)(H2,28,30,31,35)