2,3-bis(chloranyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,3-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/c20-16-5-3-4-15(17(16)21)18(25)23-19(26)22-14-8-6-13(7-9-14)12-24-10-1-2-11-24/h3-9H,1-2,10-12H2,(H2,22,23,25,26)