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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

InChI

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