4-(4-chlorophenyl)sulfanyl-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]butyramide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H23ClN2O2S/c1-15-14-17(8-11-19(15)24-12-2-5-21(24)26)23-20(25)4-3-13-27-18-9-6-16(22)7-10-18/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)