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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S2/c1-5-15(4)16-6-8-17(9-7-16)25(22,23)21-12-10-20(11-13-21)18(24)19-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,19,24)/t15-/m0/s1