ethyl 2-[[1-[phenylcarbonyl-(phenylmethyl)amino]cyclohexyl]carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[[1-[phenylcarbonyl-(phenylmethyl)amino]cyclohexyl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[1-[benzoyl(benzyl)amino]cyclohexanecarbothioyl]amino]acetate CAS Name: 2-[[[1-[benzoyl-(phenylmethyl)amino]cyclohexyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[benzoyl(benzyl)amino]cyclohexanecarbothioyl]amino]acetate Traditional Name: 2-[[1-[benzoyl(benzyl)amino]cyclohexanecarbothioyl]amino]acetic acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)C1(CCCCC1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=S)C1(CCCCC1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3S/c1-2-30-22(28)18-26-24(31)25(16-10-5-11-17-25)27(19-20-12-6-3-7-13-20)23(29)21-14-8-4-9-15-21/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3,(H,26,31)