S-[4-(ethylcarbamoyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzenecarbothioate

Systemtic Name: S-[4-(ethylcarbamoyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzenecarbothioate Openeye Name: S-[4-(ethylcarbamoyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzenecarbothioate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarbothioic acid S-[4-(ethylcarbamoyl)phenyl] ester IUPAC Name: S-[4-(ethylcarbamoyl)phenyl] 3-(1-adamantyl)-4-methoxybenzenecarbothioate Traditional Name: 3-(1-adamantyl)-4-methoxy-thiobenzoic acid S-[4-(ethylcarbamoyl)phenyl] ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(C=C1)SC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCNC(=O)C1=CC=C(C=C1)SC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO3S/c1-3-28-25(29)20-4-7-22(8-5-20)32-26(30)21-6-9-24(31-2)23(13-21)27-14-17-10-18(15-27)12-19(11-17)16-27/h4-9,13,17-19H,3,10-12,14-16H2,1-2H3,(H,28,29)