N-(4-fluorophenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(4-fluorophenyl)-1-methyl-2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-oxo-5-pyrimidinecarboxamide IUPAC Name: N-(4-fluorophenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide Traditional Name: N-(4-fluorophenyl)-6-keto-2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]-1-methyl-pyrimidine-5-carboxamide Formula: C22H18FN5O3S2 MolecularWeight: 483.538423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=C(C(=O)N3C)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=C(C(=O)N3C)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O3S2/c1-12-3-8-16-17(9-12)33-21(26-16)27-18(29)11-32-22-24-10-15(20(31)28(22)2)19(30)25-14-6-4-13(23)5-7-14/h3-10H,11H2,1-2H3,(H,25,30)(H,26,27,29)