N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]thiocarbamoyl]benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC3CC2CO3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC3CC2CO3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c1-25-18-8-7-14(23-11-16-9-15(23)12-26-16)10-17(18)21-20(27)22-19(24)13-5-3-2-4-6-13/h2-8,10,15-16H,9,11-12H2,1H3,(H2,21,22,24,27)