4-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: 4-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 4-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 4-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(2-ketopyrrolidino)benzamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-18-8-7-15(12-19(18)25-10-3-6-20(25)26)21(27)24-9-11-28-14-17-5-2-1-4-16(17)13-23/h1-2,4-5,7-8,12H,3,6,9-11,14H2,(H,24,27)