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

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S2/c1-3-29-20-8-10-21(11-9-20)31(26,27)25-16-14-24(15-17-25)22(30)23-13-12-18-4-6-19(28-2)7-5-18/h4-11H,3,12-17H2,1-2H3,(H,23,30)