N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCOC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCOC)C)C

InChI

InChI=1S/C18H29N3O3S2/c1-13-12-14(2)16(4)17(15(13)3)26(22,23)21-9-7-20(8-10-21)18(25)19-6-11-24-5/h12H,6-11H2,1-5H3,(H,19,25)