1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]thiourea

Systemtic Name: 1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]thiourea Openeye Name: 3-(2-benzylisoindolin-5-yl)-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiourea CAS Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]thiourea IUPAC Name: 3-(2-benzyl-1,3-dihydroisoindol-5-yl)-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)thiourea Traditional Name: 3-(2-benzylisoindolin-5-yl)-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiourea Formula: C29H27N5O2S MolecularWeight: 509.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=S)NC3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=S)NC3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)O)C

InChI

InChI=1S/C29H27N5O2S/c1-29(2)27(35)26(24-12-20(14-30)8-11-25(24)36-29)34(18-31)28(37)32-23-10-9-21-16-33(17-22(21)13-23)15-19-6-4-3-5-7-19/h3-13,26-27,35H,15-17H2,1-2H3,(H,32,37)