2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C26H20N4OS2 MolecularWeight: 468.5932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)N5C6=CC=CC=C6SC5=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)N5C6=CC=CC=C6SC5=N4

InChI

InChI=1S/C26H20N4OS2/c31-24-16-19(27-26-30(24)22-12-6-7-13-23(22)33-26)17-32-25-28-20-10-4-5-11-21(20)29(25)15-14-18-8-2-1-3-9-18/h1-13,16H,14-15,17H2