2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-18-6-5-7-19(16-18)25-12-14-27(15-13-25)23(29)20-8-1-2-9-21(20)30-17-22(28)26-10-3-4-11-26/h1-2,5-9,16H,3-4,10-15,17H2