N-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylethanoylcarbamothioylamino)benzamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylethanoylcarbamothioylamino)benzamide Openeye Name: 3-[(2-phenylacetyl)carbamothioylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[(2-phenylacetyl)carbamothioylamino]benzamide Traditional Name: 3-[(2-phenylacetyl)thiocarbamoylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c25-19(12-15-6-2-1-3-7-15)24-21(28)23-17-9-4-8-16(13-17)20(26)22-14-18-10-5-11-27-18/h1-4,6-9,13,18H,5,10-12,14H2,(H,22,26)(H2,23,24,25,28)/t18-/m1/s1