N-(4-ethoxyphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-p-phenetyl-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H27N3O4S2/c1-3-27-18-7-5-17(6-8-18)22-21(29)23-13-15-24(16-14-23)30(25,26)20-11-9-19(10-12-20)28-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,22,29)