5-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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