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

Systemtic Name: 3-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O5S/c1-13(2)9-10-31-17-7-5-14(11-16(17)23)20(27)24-22(32)26-25-21(28)15-6-8-18(29-3)19(12-15)30-4/h5-8,11-13H,9-10H2,1-4H3,(H,25,28)(H2,24,26,27,32)