N-(3-fluoranyl-4-methyl-phenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(2-phenoxyethyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Formula: C20H24FN3OS MolecularWeight: 373.487463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CCOC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CCOC3=CC=CC=C3)F

InChI

InChI=1S/C20H24FN3OS/c1-16-7-8-17(15-19(16)21)22-20(26)24-11-9-23(10-12-24)13-14-25-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,26)