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

Systemtic Name: N-(4-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperazine-1-carbothioamide Formula: C16H19ClN4O3S2 MolecularWeight: 414.93006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3S2/c1-11-15(12(2)24-19-11)26(22,23)21-9-7-20(8-10-21)16(25)18-14-5-3-13(17)4-6-14/h3-6H,7-10H2,1-2H3,(H,18,25)