N-(2-dimethylaminoethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-dimethylaminoethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-dimethylaminoethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-dimethylaminoethyl)-4-mesitylsulfonyl-piperazine-1-carbothioamide Formula: C18H30N4O2S2 MolecularWeight: 398.5864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCN(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCN(C)C)C

InChI

InChI=1S/C18H30N4O2S2/c1-14-12-15(2)17(16(3)13-14)26(23,24)22-10-8-21(9-11-22)18(25)19-6-7-20(4)5/h12-13H,6-11H2,1-5H3,(H,19,25)