2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C19H14N4O2S2 MolecularWeight: 394.47006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C19H14N4O2S2/c1-25-12-6-7-13-14(9-12)22-18(21-13)26-10-11-8-17(24)23-15-4-2-3-5-16(15)27-19(23)20-11/h2-9H,10H2,1H3,(H,21,22)