6-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one

Systemtic Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one Openeye Name: 6-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-ethyl-3-methyl-quinoxalin-2-one CAS Name: 6-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-1-ethyl-3-methyl-2-quinoxalinone IUPAC Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one Traditional Name: 6-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-ethyl-3-methyl-quinoxalin-2-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)N=C(C1=O)C

InChI

InChI=1S/C25H26N4O2S/c1-3-29-22-9-8-18(14-21(22)26-17(2)24(29)30)25(31)28-12-10-27(11-13-28)15-19-16-32-23-7-5-4-6-20(19)23/h4-9,14,16H,3,10-13,15H2,1-2H3