1-[4-[(2Z)-4-fluoranyl-3-oxidanylidene-2-(1H-pyrimidin-6-ylidene)butanoyl]phenyl]-3-methyl-thiourea

Systemtic Name: 1-[4-[(2Z)-4-fluoranyl-3-oxidanylidene-2-(1H-pyrimidin-6-ylidene)butanoyl]phenyl]-3-methyl-thiourea Openeye Name: 1-[4-[(2Z)-4-fluoro-3-oxo-2-(1H-pyrimidin-6-ylidene)butanoyl]phenyl]-3-methyl-thiourea CAS Name: 1-[4-[(2Z)-4-fluoro-1,3-dioxo-2-(1H-pyrimidin-6-ylidene)butyl]phenyl]-3-methylthiourea IUPAC Name: 1-[4-[(2Z)-4-fluoro-3-oxo-2-(1H-pyrimidin-6-ylidene)butanoyl]phenyl]-3-methylthiourea Traditional Name: 1-[4-[(2Z)-4-fluoro-3-keto-2-(1H-pyrimidin-6-ylidene)butanoyl]phenyl]-3-methyl-thiourea Formula: C16H15FN4O2S MolecularWeight: 346.379303

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)C(=O)C(=C2C=CN=CN2)C(=O)CF

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)C(=O)/C(=C/2\C=CN=CN2)/C(=O)CF

InChI

InChI=1S/C16H15FN4O2S/c1-18-16(24)21-11-4-2-10(3-5-11)15(23)14(13(22)8-17)12-6-7-19-9-20-12/h2-7,9H,8H2,1H3,(H,19,20)(H2,18,21,24)/b14-12+