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

Systemtic Name: 2-[[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(4-methyl-3-nitro-benzoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-13-5-6-14(11-16(13)24(27)28)20(26)23-9-7-22(8-10-23)12-18-21-15-3-2-4-17(25)19(15)29-18/h5-6,11H,2-4,7-10,12H2,1H3