ethyl 3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butyl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-tert-butoxy-4-oxo-butyl)carbamothioylamino]benzoate CAS Name: 3-[[[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamothioylamino]benzoate Traditional Name: 3-[(4-tert-butoxy-4-keto-butyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-5-23-16(22)13-8-6-9-14(12-13)20-17(25)19-11-7-10-15(21)24-18(2,3)4/h6,8-9,12H,5,7,10-11H2,1-4H3,(H2,19,20,25)