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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H27N3O3S2/c1-3-16(2)17-6-8-19(9-7-17)28(24,25)23-12-10-22(11-13-23)20(27)21-15-18-5-4-14-26-18/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,27)/t16-/m0/s1