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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C21H24ClN3O4S/c1-27-16-11-13(12-17(28-2)19(16)29-3)20(26)24-21(30)23-15-8-6-7-14(22)18(15)25-9-4-5-10-25/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,23,24,26,30)