methyl 2-[2-[(1R,3R)-3-ethanoyl-2,2-dimethyl-cyclobutyl]ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[2-[(1R,3R)-3-ethanoyl-2,2-dimethyl-cyclobutyl]ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[2-[(1R,3R)-3-acetyl-2,2-dimethyl-cyclobutyl]acetyl]carbamothioylamino]benzoate CAS Name: 2-[[[[2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetyl]carbamothioylamino]benzoate Traditional Name: 2-[[2-[(1R,3R)-3-acetyl-2,2-dimethyl-cyclobutyl]acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C1(C)C)CC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)[C@@H]1C[C@@H](C1(C)C)CC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H24N2O4S/c1-11(22)14-9-12(19(14,2)3)10-16(23)21-18(26)20-15-8-6-5-7-13(15)17(24)25-4/h5-8,12,14H,9-10H2,1-4H3,(H2,20,21,23,26)/t12-,14+/m1/s1