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

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H19BrClN3O2S MolecularWeight: 468.79506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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