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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-5-iodo-benzamide Formula: C18H16Cl2IN3OS MolecularWeight: 520.21461

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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)I)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2IN3OS/c19-14-5-3-11(21)9-13(14)17(25)23-18(26)22-12-4-6-16(15(20)10-12)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8H2,(H2,22,23,25,26)