4-(phenylmethyl)sulfonyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(4-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(4-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-p-cumenyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-17(2)19-8-10-20(11-9-19)22-21(27)23-12-14-24(15-13-23)28(25,26)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,22,27)