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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-4-15(2)16-5-7-17(8-6-16)26(22,23)21-12-10-20(11-13-21)18(25)19-9-14-24-3/h5-8,15H,4,9-14H2,1-3H3,(H,19,25)/t15-/m0/s1