4-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-p-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-4-29-17-7-5-16(6-8-17)22-21(30)23-11-13-24(14-12-23)31(25,26)20-15-18(27-2)9-10-19(20)28-3/h5-10,15H,4,11-14H2,1-3H3,(H,22,30)