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

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C19H19BrClN3O2S MolecularWeight: 468.79506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O2S/c1-26-16-8-7-12(11-13(16)20)18(25)23-19(27)22-15-6-4-5-14(21)17(15)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H2,22,23,25,27)