N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-o-phenetyl-piperazine-1-carbothioamide Formula: C26H36N4O3S2 MolecularWeight: 516.71904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

InChI

InChI=1S/C26H36N4O3S2/c1-4-33-25-11-6-5-10-24(25)28-16-18-29(19-17-28)26(34)27-22-12-14-23(15-13-22)35(31,32)30-20(2)8-7-9-21(30)3/h5-6,10-15,20-21H,4,7-9,16-19H2,1-3H3,(H,27,34)