4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25N3O3S2/c1-15-7-8-16(2)19(13-15)28(24,25)23-11-9-22(10-12-23)20(27)21-17-5-4-6-18(14-17)26-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,27)