N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-p-anisyl-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C17H21N3O3S3 MolecularWeight: 411.56194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O3S3/c1-23-15-6-4-14(5-7-15)13-18-17(24)19-8-10-20(11-9-19)26(21,22)16-3-2-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,18,24)