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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H22N4O4S2/c1-12-16(13(2)25-19-12)27(22,23)21-9-7-20(8-10-21)17(26)18-14-5-4-6-15(11-14)24-3/h4-6,11H,7-10H2,1-3H3,(H,18,26)