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

Systemtic Name: S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-phenylpiperazine-1-carbothioate Openeye Name: S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) 4-phenylpiperazine-1-carbothioate CAS Name: 4-phenyl-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-phenylpiperazine-1-carbothioate Traditional Name: 4-phenylpiperazine-1-carbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-16-17(2)22-20(18(3)21(16)27)10-11-24(4,29-22)30-23(28)26-14-12-25(13-15-26)19-8-6-5-7-9-19/h5-9,27H,10-15H2,1-4H3