5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C23H25BrN4O3S MolecularWeight: 517.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C23H25BrN4O3S/c1-15(2)10-12-31-20-8-7-17(24)13-18(20)22(30)25-23(32)27-26-21(29)14-28-11-9-16-5-3-4-6-19(16)28/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,26,29)(H2,25,27,30,32)