N-(2-methoxyethyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isobutylphenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCOC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCOC

InChI

InChI=1S/C18H29N3O3S2/c1-15(2)14-16-4-6-17(7-5-16)26(22,23)21-11-9-20(10-12-21)18(25)19-8-13-24-3/h4-7,15H,8-14H2,1-3H3,(H,19,25)