N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H33N3O3S2/c1-4-6-7-17(5-2)16-21-20(27)22-12-14-23(15-13-22)28(24,25)19-10-8-18(26-3)9-11-19/h8-11,17H,4-7,12-16H2,1-3H3,(H,21,27)/t17-/m0/s1