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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 2-chloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-chloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C18H17Cl2N3OS MolecularWeight: 394.31808

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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=C3Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C18H17Cl2N3OS/c19-14-6-2-1-5-13(14)17(24)22-18(25)21-12-7-8-16(15(20)11-12)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2,(H2,21,22,24,25)