3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-1,6,7,8-tetrahydroquinoline-2,5-dione IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)C(=O)C1

InChI

InChI=1S/C23H23N3O3S/c27-20-6-3-5-19-17(20)12-18(22(28)24-19)23(29)26-10-8-25(9-11-26)13-15-14-30-21-7-2-1-4-16(15)21/h1-2,4,7,12,14H,3,5-6,8-11,13H2,(H,24,28)