4-[4-(2-methylpropyl)phenyl]sulfonyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-(2-methylpropyl)phenyl]sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isobutylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[4-(2-methylpropyl)phenyl]sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-(2-methylpropyl)phenyl]sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S2/c1-19(2)18-21-8-10-22(11-9-21)30(27,28)26-16-14-25(15-17-26)23(29)24-13-12-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,24,29)