1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazino]-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]ethanone Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCC5

InChI

InChI=1S/C27H33N5O2S/c1-21-8-10-22(11-9-21)34-19-18-30-14-16-31(17-15-30)25(33)20-35-27-26(32-12-4-5-13-32)28-23-6-2-3-7-24(23)29-27/h2-3,6-11H,4-5,12-20H2,1H3