3-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

InChI

InChI=1S/C22H23BrN4O3S/c1-14(2)13-30-19-8-7-16(11-17(19)23)21(29)24-22(31)26-25-20(28)12-27-10-9-15-5-3-4-6-18(15)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H2,24,26,29,31)