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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-indol-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]benzamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

InChI

InChI=1S/C22H23BrN4O3S/c1-2-3-12-30-19-9-8-16(13-17(19)23)21(29)24-22(31)26-25-20(28)14-27-11-10-15-6-4-5-7-18(15)27/h4-11,13H,2-3,12,14H2,1H3,(H,25,28)(H2,24,26,29,31)