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

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C18H17BrClN3OS MolecularWeight: 438.76908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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