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

Systemtic Name: 3-bromanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c20-16-5-3-4-15(12-16)18(24)22-19(25)21-17-8-6-14(7-9-17)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2,(H2,21,22,24,25)