N-(oxolan-2-ylmethyl)-4-(2-phenylethanoylcarbamothioylamino)benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-(2-phenylethanoylcarbamothioylamino)benzamide Openeye Name: 4-[(2-phenylacetyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-[(2-phenylacetyl)carbamothioylamino]benzamide Traditional Name: 4-[(2-phenylacetyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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