S-(phenylmethyl) N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-5-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-5-yl]carbamothioate Openeye Name: S-benzyl N-[1-(2-amino-2-oxo-ethyl)-2-(4-fluorophenyl)-6-oxo-pyrimidin-5-yl]carbamothioate CAS Name: N-[1-(2-amino-2-oxoethyl)-2-(4-fluorophenyl)-6-oxo-5-pyrimidinyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-(2-amino-2-oxoethyl)-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]carbamothioate Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-(4-fluorophenyl)-6-keto-pyrimidin-5-yl]thiocarbamic acid S-benzyl ester Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)NC2=CN=C(N(C2=O)CC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)NC2=CN=C(N(C2=O)CC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4O3S/c21-15-8-6-14(7-9-15)18-23-10-16(19(27)25(18)11-17(22)26)24-20(28)29-12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H2,22,26)(H,24,28)