5-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)OC

InChI

InChI=1S/C20H21BrClN3O2S/c1-12-10-13(21)11-14(18(12)27-2)19(26)24-20(28)23-16-7-5-6-15(22)17(16)25-8-3-4-9-25/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,23,24,26,28)