N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-propylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-(4-propylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-propylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C19H29N3O3S2/c1-2-4-16-6-8-18(9-7-16)27(23,24)22-12-10-21(11-13-22)19(26)20-15-17-5-3-14-25-17/h6-9,17H,2-5,10-15H2,1H3,(H,20,26)/t17-/m1/s1