3-[[6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[[6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[[6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]methyl]thiazolidine-2,4-dione CAS Name: 3-[[6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 3-[[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[[6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]methyl]thiazolidine-2,4-quinone Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)CN4C(=O)CSC4=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)CN4C(=O)CSC4=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H31NO3S/c1-35-28-7-6-26(13-27(28)31-14-20-8-21(15-31)10-22(9-20)16-31)25-5-4-23-11-19(2-3-24(23)12-25)17-32-29(33)18-36-30(32)34/h2-7,11-13,20-22H,8-10,14-18H2,1H3