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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

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