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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

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