2,5-bis(chloranyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H19Cl2N3OS MolecularWeight: 408.34466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3OS/c20-14-5-8-17(21)16(11-14)18(25)23-19(26)22-15-6-3-13(4-7-15)12-24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H2,22,23,25,26)