S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate

Systemtic Name: S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate Openeye Name: S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-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-chlorophenyl)-phenylmethyl]piperazine-1-carbothioate Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) ester Formula: C31H35ClN2O3S MolecularWeight: 551.1392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C)O

InChI

InChI=1S/C31H35ClN2O3S/c1-20-21(2)29-26(22(3)28(20)35)14-15-31(4,37-29)38-30(36)34-18-16-33(17-19-34)27(23-8-6-5-7-9-23)24-10-12-25(32)13-11-24/h5-13,27,35H,14-19H2,1-4H3