ethyl 4-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,1,3,3-tetramethylbutylcarbamothioylamino)benzoate CAS Name: 4-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,1,3,3-tetramethylbutylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-7-22-15(21)13-8-10-14(11-9-13)19-16(23)20-18(5,6)12-17(2,3)4/h8-11H,7,12H2,1-6H3,(H2,19,20,23)