S-[2-[(1-methylcyclohexyl)carbonylamino]-4-phenyl-phenyl] 2-phenylethanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]-4-phenyl-phenyl] 2-phenylethanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenyl-phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]-4-phenylphenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenylphenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenyl-phenyl] ester Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H29NO2S/c1-28(17-9-4-10-18-28)27(31)29-24-20-23(22-13-7-3-8-14-22)15-16-25(24)32-26(30)19-21-11-5-2-6-12-21/h2-3,5-8,11-16,20H,4,9-10,17-19H2,1H3,(H,29,31)