4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=S)NCCOC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=S)NCCOC)C)C(C)(C)C

InChI

InChI=1S/C20H33N3O3S2/c1-15-13-17(20(3,4)5)14-16(2)18(15)28(24,25)23-10-8-22(9-11-23)19(27)21-7-12-26-6/h13-14H,7-12H2,1-6H3,(H,21,27)