3-bromanyl-4-(3-methylbutoxy)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C23H28BrN3O6S MolecularWeight: 554.45392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O6S/c1-13(2)8-9-33-17-7-6-14(10-16(17)24)21(28)25-23(34)27-26-22(29)15-11-18(30-3)20(32-5)19(12-15)31-4/h6-7,10-13H,8-9H2,1-5H3,(H,26,29)(H2,25,27,28,34)