2-(diphenylmethyl)sulfanyl-1-[2-(4-methylpiperazin-1-yl)carbonylpyrrolidin-1-yl]ethanone

Systemtic Name: 2-(diphenylmethyl)sulfanyl-1-[2-(4-methylpiperazin-1-yl)carbonylpyrrolidin-1-yl]ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(diphenylmethyl)thio]-1-[2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidino]ethanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S/c1-26-15-17-27(18-16-26)25(30)22-13-8-14-28(22)23(29)19-31-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22,24H,8,13-19H2,1H3