4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC

InChI

InChI=1S/C17H27N3O2S2/c1-4-14(3)15-6-8-16(9-7-15)24(21,22)20-12-10-19(11-13-20)17(23)18-5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,23)/t14-/m0/s1