1-(1-adamantylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-(1-adamantylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(1-adamantylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioic S-acid CAS Name: 1-[(1-adamantylamino)-oxomethyl]-2-[3-(2,3,5-trimethylphenyl)propyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(1-adamantylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-(1-adamantylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioic S-acid Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CCCC2(CCCN2C(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)S)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CCCC2(CCCN2C(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)S)C)C

InChI

InChI=1S/C28H40N2O2S/c1-18-10-19(2)20(3)24(11-18)6-4-7-28(25(31)33)8-5-9-30(28)26(32)29-27-15-21-12-22(16-27)14-23(13-21)17-27/h10-11,21-23H,4-9,12-17H2,1-3H3,(H,29,32)(H,31,33)