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

Systemtic Name: N-butan-2-yl-3-(2-phenylethanoylcarbamothioylamino)benzamide Openeye Name: 3-[(2-phenylacetyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[(2-phenylacetyl)carbamothioylamino]benzamide Traditional Name: 3-[(2-phenylacetyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-3-14(2)21-19(25)16-10-7-11-17(13-16)22-20(26)23-18(24)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,25)(H2,22,23,24,26)