N-tert-butyl-4-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-tert-butyl-4-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-tert-butyl-4-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-tert-butyl-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-4-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-tert-butyl-4-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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