N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C20H22ClN3O3S/c1-26-15-9-6-10-16(27-2)17(15)19(25)23-20(28)22-14-8-5-7-13(21)18(14)24-11-3-4-12-24/h5-10H,3-4,11-12H2,1-2H3,(H2,22,23,25,28)