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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-tert-butylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C25H35N3O2S2 MolecularWeight: 473.6943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2S2/c1-6-19(2)20-7-11-22(12-8-20)26-24(31)27-15-17-28(18-16-27)32(29,30)23-13-9-21(10-14-23)25(3,4)5/h7-14,19H,6,15-18H2,1-5H3,(H,26,31)