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

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-(3-nitrophenyl)methanone Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S2/c1-27-15-6-3-7-16-17(15)20-19(28-16)22-10-8-21(9-11-22)18(24)13-4-2-5-14(12-13)23(25)26/h2-7,12H,8-11H2,1H3