4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N5O2S/c1-17(23(31)30-20-10-6-4-8-18(20)27-24(32)25(30,2)3)29-14-12-28(13-15-29)16-22-26-19-9-5-7-11-21(19)33-22/h4-11,17H,12-16H2,1-3H3,(H,27,32)/t17-/m0/s1