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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-indol-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]benzamide Formula: C24H27BrN4O3S MolecularWeight: 531.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32)Br

InChI

InChI=1S/C24H27BrN4O3S/c1-2-3-4-7-14-32-21-11-10-18(15-19(21)25)23(31)26-24(33)28-27-22(30)16-29-13-12-17-8-5-6-9-20(17)29/h5-6,8-13,15H,2-4,7,14,16H2,1H3,(H,27,30)(H2,26,28,31,33)