N-butan-2-yl-2-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: 2-(3-phenylpropanoylcarbamothioylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-N-sec-butyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

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