N-(4-butyl-2-methyl-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C22H28FN3S MolecularWeight: 385.541223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3S/c1-3-4-5-18-6-11-21(17(2)16-18)24-22(27)26-14-12-25(13-15-26)20-9-7-19(23)8-10-20/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)