2-(2,2-dimethylpropanoylcarbamothioylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-phenethyl-benzamide Openeye Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-phenethyl-benzamide CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-phenethylbenzamide Traditional Name: N-phenethyl-2-(pivaloylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

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