4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H27N3O2S/c1-14(2)19(26)23-17-7-6-8-18(13-17)24-21(28)25-20(27)15-9-11-16(12-10-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H2,24,25,27,28)