N-(5-chloranyl-2-methyl-phenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C20H24ClN3O2S2/c1-3-16-5-8-18(9-6-16)28(25,26)24-12-10-23(11-13-24)20(27)22-19-14-17(21)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3,(H,22,27)