3,4,5-trimethoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C21H25N3O4S/c1-26-17-12-14(13-18(27-2)19(17)28-3)20(25)23-21(29)22-15-8-4-5-9-16(15)24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H2,22,23,25,29)