5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-furamide Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H13BrN4O3S/c17-13-6-5-12(24-13)15(23)18-16(25)20-19-14(22)9-21-8-7-10-3-1-2-4-11(10)21/h1-8H,9H2,(H,19,22)(H2,18,20,23,25)