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

Systemtic Name: N-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-phenethyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H31N3O2S2/c1-17-16-18(2)20(4)22(19(17)3)30(27,28)26-14-12-25(13-15-26)23(29)24-11-10-21-8-6-5-7-9-21/h5-9,16H,10-15H2,1-4H3,(H,24,29)