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

Systemtic Name: N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-o-phenetyl-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H29N3O3S2/c1-4-28-21-8-6-5-7-20(21)23-22(29)24-13-15-25(16-14-24)30(26,27)19-11-9-18(10-12-19)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,23,29)