N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O3S2/c1-26-17-6-8-18(9-7-17)28(24,25)23-12-10-22(11-13-23)19(27)21-14-15-2-4-16(20)5-3-15/h2-9H,10-14H2,1H3,(H,21,27)