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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S2/c1-4-10-19-18(24)20-11-13-21(14-12-20)25(22,23)17-8-6-16(7-9-17)15(3)5-2/h4,6-9,15H,1,5,10-14H2,2-3H3,(H,19,24)/t15-/m0/s1