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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)C

InChI

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