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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC

InChI

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