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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-p-anisyl-piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-26-19-9-7-17(8-10-19)15-21-20(27)22-11-13-23(14-12-22)28(24,25)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,27)