N-(2,4-dimethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-16(2)17-5-8-19(9-6-17)31(26,27)25-13-11-24(12-14-25)22(30)23-20-10-7-18(28-3)15-21(20)29-4/h5-10,15-16H,11-14H2,1-4H3,(H,23,30)