S-[1-[3-(1-adamantyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-3-phenyl-propyl] ethanethioate

Systemtic Name: S-[1-[3-(1-adamantyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-3-phenyl-propyl] ethanethioate Openeye Name: S-[1-[3-(1-adamantyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[1-[3-(1-adamantyl)-2,5-dioxo-1-imidazolidinyl]-3-phenylpropyl] ester IUPAC Name: S-[1-[3-(1-adamantyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[1-[3-(1-adamantyl)-2,5-diketo-imidazolidin-1-yl]-3-phenyl-propyl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=CC=C1)N2C(=O)CN(C2=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)SC(CCC1=CC=CC=C1)N2C(=O)CN(C2=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O3S/c1-16(27)30-22(8-7-17-5-3-2-4-6-17)26-21(28)15-25(23(26)29)24-12-18-9-19(13-24)11-20(10-18)14-24/h2-6,18-20,22H,7-15H2,1H3