N-tert-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-tert-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-tert-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-tert-butyl-3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-tert-butyl-3-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)24-19(26)16-10-7-11-17(14-16)22-20(27)23-18(25)13-12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,26)(H2,22,23,25,27)