2,5-bis(chloranyl)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C18H16Cl3N3OS MolecularWeight: 428.76314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl3N3OS/c19-11-3-5-14(20)13(9-11)17(25)23-18(26)22-12-4-6-16(15(21)10-12)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8H2,(H2,22,23,25,26)