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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-butan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-sec-butylphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-sec-butylphenyl)-4-(4-sec-butylphenyl)sulfonyl-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)CC

Isomeric SMILES

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

InChI

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