ethyl 4-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]carbamothioylamino]benzoate Traditional Name: 4-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCC(C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N[C@H]2CCC[C@@H]([C@@H]2C)C

InChI

InChI=1S/C18H26N2O2S/c1-4-22-17(21)14-8-10-15(11-9-14)19-18(23)20-16-7-5-6-12(2)13(16)3/h8-13,16H,4-7H2,1-3H3,(H2,19,20,23)/t12-,13-,16-/m0/s1