3,5-dimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)OC

InChI

InChI=1S/C21H25N3O4S/c1-26-18-11-16(12-19(13-18)27-2)20(25)23-21(29)22-17-5-3-15(4-6-17)14-24-7-9-28-10-8-24/h3-6,11-13H,7-10,14H2,1-2H3,(H2,22,23,25,29)