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

Systemtic Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-(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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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