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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26ClN3O2S2/c1-15(2)17-5-8-19(9-6-17)29(26,27)25-12-10-24(11-13-25)21(28)23-20-14-18(22)7-4-16(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,23,28)