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

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-o-phenetyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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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=C3OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3OCC

InChI

InChI=1S/C23H31N3O3S2/c1-4-18(3)19-10-12-20(13-11-19)31(27,28)26-16-14-25(15-17-26)23(30)24-21-8-6-7-9-22(21)29-5-2/h6-13,18H,4-5,14-17H2,1-3H3,(H,24,30)