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

Systemtic Name: 5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O3S/c1-27-16-7-6-13(20)10-14(16)18(26)21-19(28)23-22-17(25)11-24-9-8-12-4-2-3-5-15(12)24/h2-10H,11H2,1H3,(H,22,25)(H2,21,23,26,28)