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

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxyphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxyphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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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=C3OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3OC

InChI

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