[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate

Systemtic Name: [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate Openeye Name: [6-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] ester IUPAC Name: [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [6-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] ester Formula: C19H22N4OS4 MolecularWeight: 450.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC3=C(C=C2)N=C(S3)SC(=S)N4CCOCC4)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC3=C(C=C2)N=C(S3)SC(=S)N4CCOCC4)(C)C

InChI

InChI=1S/C19H22N4OS4/c1-12-11-19(2,3)21-16(25)23(12)13-4-5-14-15(10-13)27-17(20-14)28-18(26)22-6-8-24-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,21,25)