4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C17H22N4O3S2/c1-12-6-4-5-7-15(12)18-17(25)20-8-10-21(11-9-20)26(22,23)16-13(2)19-24-14(16)3/h4-7H,8-11H2,1-3H3,(H,18,25)