ethyl 4-[1-(1-adamantyl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[1-(1-adamantyl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(1-adamantyl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1-adamantyl)propylcarbamothioylamino]benzoate Traditional Name: 4-[1-(1-adamantyl)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C23H32N2O2S/c1-3-20(23-12-15-9-16(13-23)11-17(10-15)14-23)25-22(28)24-19-7-5-18(6-8-19)21(26)27-4-2/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H2,24,25,28)