S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] morpholine-4-carbothioate

Systemtic Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] morpholine-4-carbothioate Openeye Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] morpholine-4-carbothioate CAS Name: 4-morpholinecarbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl] ester IUPAC Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl] morpholine-4-carbothioate Traditional Name: morpholine-4-carbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] ester Formula: C25H25N4O2S2+ MolecularWeight: 477.6216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N4O2S2/c1-18-16-19(17-23-27(2)21-10-6-7-11-22(21)32-23)26-24(29(18)20-8-4-3-5-9-20)33-25(30)28-12-14-31-15-13-28/h3-11,16-17H,12-15H2,1-2H3/q+1