N-[(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-methoxy-5-methyl-benzyl)piperazine-1-carbothioamide Formula: C21H26FN3OS MolecularWeight: 387.514043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3OS/c1-16-3-8-20(26-2)18(13-16)15-24-9-11-25(12-10-24)21(27)23-14-17-4-6-19(22)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)