S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-(4-methoxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-(4-methoxyphenyl)piperazine-1-carbothioate Openeye Name: S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) 4-(4-methoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(4-methoxyphenyl)-1-piperazinecarbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl) ester IUPAC Name: S-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 4-(4-methoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(4-methoxyphenyl)piperazine-1-carbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C)O

InChI

InChI=1S/C25H32N2O4S/c1-16-17(2)23-21(18(3)22(16)28)10-11-25(4,31-23)32-24(29)27-14-12-26(13-15-27)19-6-8-20(30-5)9-7-19/h6-9,28H,10-15H2,1-5H3