[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(4-nitrophenyl)methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-13-11-14(2)18-17(12-13)28-20(21-18)23-9-7-22(8-10-23)19(25)15-3-5-16(6-4-15)24(26)27/h3-6,11-12H,7-10H2,1-2H3