4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H31N3O2S2/c1-4-5-8-20-10-12-21(13-11-20)30(27,28)26-16-14-25(15-17-26)23(29)24-22-9-6-7-18(2)19(22)3/h6-7,9-13H,4-5,8,14-17H2,1-3H3,(H,24,29)