1-adamantyl N-[2-[8-(3,5-dimethylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]phenyl]carbamate

Systemtic Name: 1-adamantyl N-[2-[8-(3,5-dimethylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]phenyl]carbamate Openeye Name: 1-adamantyl N-[2-[8-(3,5-dimethylphenyl)sulfanyl-1-hydroxy-2-naphthyl]phenyl]carbamate CAS Name: N-[2-[8-[(3,5-dimethylphenyl)thio]-1-hydroxy-2-naphthalenyl]phenyl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[2-[8-(3,5-dimethylphenyl)sulfanyl-1-hydroxynaphthalen-2-yl]phenyl]carbamate Traditional Name: N-[2-[8-[(3,5-dimethylphenyl)thio]-1-hydroxy-2-naphthyl]phenyl]carbamic acid 1-adamantyl ester Formula: C35H35NO3S MolecularWeight: 549.7223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=CC=CC3=C2C(=C(C=C3)C4=CC=CC=C4NC(=O)OC56CC7CC(C5)CC(C7)C6)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=CC=CC3=C2C(=C(C=C3)C4=CC=CC=C4NC(=O)OC56CC7CC(C5)CC(C7)C6)O)C

InChI

InChI=1S/C35H35NO3S/c1-21-12-22(2)14-27(13-21)40-31-9-5-6-26-10-11-29(33(37)32(26)31)28-7-3-4-8-30(28)36-34(38)39-35-18-23-15-24(19-35)17-25(16-23)20-35/h3-14,23-25,37H,15-20H2,1-2H3,(H,36,38)