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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(3-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C18H24N4O3S2/c1-4-15-6-5-7-16(12-15)19-18(26)21-8-10-22(11-9-21)27(23,24)17-13(2)20-25-14(17)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,26)