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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-iodo-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3-iodo-benzamide Formula: C18H17ClIN3OS MolecularWeight: 485.76955

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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=C3)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClIN3OS/c19-15-11-14(6-7-16(15)23-8-1-2-9-23)21-18(25)22-17(24)12-4-3-5-13(20)10-12/h3-7,10-11H,1-2,8-9H2,(H2,21,22,24,25)