N-(3-chloranyl-4-methyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)Cl

InChI

InChI=1S/C20H24ClN3O4S2/c1-14-4-5-15(12-17(14)21)22-20(29)23-8-10-24(11-9-23)30(25,26)19-13-16(27-2)6-7-18(19)28-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,29)