4-(4-butan-2-ylphenyl)sulfonyl-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-phenyl-piperazine-1-carbothioamide Openeye Name: N-phenyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-phenylpiperazine-1-carbothioamide Traditional Name: N-phenyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-3-17(2)18-9-11-20(12-10-18)28(25,26)24-15-13-23(14-16-24)21(27)22-19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,22,27)