4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3S2/c1-17-4-5-18(2)21(16-17)30(26,27)25-14-12-24(13-15-25)22(29)23-11-10-19-6-8-20(28-3)9-7-19/h4-9,16H,10-15H2,1-3H3,(H,23,29)