8-methoxy-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one

Systemtic Name: 8-methoxy-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 8-methoxy-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 8-methoxy-2-[[(1-propyl-2-benzimidazolyl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 8-methoxy-2-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 8-methoxy-2-[[(1-propylbenzimidazol-2-yl)thio]methyl]-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C22H21N4O2S2+ MolecularWeight: 437.55774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=C4C=CC(=C5)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC5=C4C=CC(=C5)OC

InChI

InChI=1S/C22H20N4O2S2/c1-3-10-25-17-7-5-4-6-16(17)24-21(25)29-13-14-11-20(27)26-18-9-8-15(28-2)12-19(18)30-22(26)23-14/h4-9,11-12H,3,10,13H2,1-2H3/p+1