1-(4-methoxyphenyl)-3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]quinoxalin-2-one

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]quinoxalin-2-one Openeye Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]quinoxalin-2-one CAS Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-2-quinoxalinone IUPAC Name: 1-(4-methoxyphenyl)-3-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]quinoxalin-2-one Traditional Name: 3-[3-keto-3-[4-(2-thenyl)piperazino]propyl]-1-(4-methoxyphenyl)quinoxalin-2-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C27H28N4O3S/c1-34-21-10-8-20(9-11-21)31-25-7-3-2-6-23(25)28-24(27(31)33)12-13-26(32)30-16-14-29(15-17-30)19-22-5-4-18-35-22/h2-11,18H,12-17,19H2,1H3