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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-dimethylaminoethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C19H32N4O2S2 MolecularWeight: 412.61298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O2S2/c1-5-16(2)17-6-8-18(9-7-17)27(24,25)23-14-12-22(13-15-23)19(26)20-10-11-21(3)4/h6-9,16H,5,10-15H2,1-4H3,(H,20,26)/t16-/m0/s1