4-tert-butyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-22(2,3)17-10-8-16(9-11-17)20(28)23-21(29)25-24-19(27)14-26-13-12-15-6-4-5-7-18(15)26/h4-13H,14H2,1-3H3,(H,24,27)(H2,23,25,28,29)