2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(4-phenoxyphenyl)guanidine Formula: C25H20N6O2S2 MolecularWeight: 500.5953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N/C(=N/C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)/N

InChI

InChI=1S/C25H20N6O2S2/c26-23(27-16-10-12-19(13-11-16)33-18-6-2-1-3-7-18)31-24-28-17(14-22(32)30-24)15-34-25-29-20-8-4-5-9-21(20)35-25/h1-14H,15H2,(H4,26,27,28,30,31,32)