N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C22H26ClN3O4S/c1-28-17-12-14(13-18(29-2)20(17)30-3)21(27)25-22(31)24-16-9-7-8-15(23)19(16)26-10-5-4-6-11-26/h7-9,12-13H,4-6,10-11H2,1-3H3,(H2,24,25,27,31)