N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-27-18-5-3-17(4-6-18)11-12-22-21(29)23-13-15-24(16-14-23)30(25,26)20-9-7-19(28-2)8-10-20/h3-10H,11-16H2,1-2H3,(H,22,29)