N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-mesyl-piperazine-1-carbothioamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C16H25N3O4S2/c1-22-14-5-4-13(12-15(14)23-2)6-7-17-16(24)18-8-10-19(11-9-18)25(3,20)21/h4-5,12H,6-11H2,1-3H3,(H,17,24)