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

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperazine-1-carbothioamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H29N3O3S2/c1-4-24-13-5-8-19-18(25)20-9-11-21(12-10-20)26(22,23)17-14-15(2)6-7-16(17)3/h6-7,14H,4-5,8-13H2,1-3H3,(H,19,25)