5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H21BrN4O4S/c1-29-10-11-30-18-7-6-15(22)12-16(18)20(28)23-21(31)25-24-19(27)13-26-9-8-14-4-2-3-5-17(14)26/h2-9,12H,10-11,13H2,1H3,(H,24,27)(H2,23,25,28,31)