N-(3-fluoranyl-4-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C13H16FN3OS MolecularWeight: 281.349043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C=O)F

InChI

InChI=1S/C13H16FN3OS/c1-10-2-3-11(8-12(10)14)15-13(19)17-6-4-16(9-18)5-7-17/h2-3,8-9H,4-7H2,1H3,(H,15,19)