5-bromanyl-2-chloranyl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(3-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C18H17BrClN3OS MolecularWeight: 438.76908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C18H17BrClN3OS/c19-12-6-7-16(20)15(10-12)17(24)22-18(25)21-13-4-3-5-14(11-13)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9H2,(H2,21,22,24,25)