2-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(3-nitrobenzoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-16-6-2-5-15-18(16)28-17(20-15)12-21-7-9-22(10-8-21)19(25)13-3-1-4-14(11-13)23(26)27/h1,3-4,11H,2,5-10,12H2