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

Systemtic Name: 3-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

InChI

InChI=1S/C21H21BrN4O3S/c1-13(2)29-18-8-7-15(11-16(18)22)20(28)23-21(30)25-24-19(27)12-26-10-9-14-5-3-4-6-17(14)26/h3-11,13H,12H2,1-2H3,(H,24,27)(H2,23,25,28,30)