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

Systemtic Name: 3,5-bis(bromanyl)-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H18Br2ClN3O2S MolecularWeight: 547.69112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)Br)Br

InChI

InChI=1S/C19H18Br2ClN3O2S/c1-27-17-12(9-11(20)10-13(17)21)18(26)24-19(28)23-15-6-4-5-14(22)16(15)25-7-2-3-8-25/h4-6,9-10H,2-3,7-8H2,1H3,(H2,23,24,26,28)