methyl 4-[[[(2R)-1-methoxypropan-2-yl]carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[(2R)-1-methoxypropan-2-yl]carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[(1R)-2-methoxy-1-methyl-ethyl]carbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[[[(2R)-1-methoxypropan-2-yl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-1-methoxypropan-2-yl]carbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[[(1R)-2-methoxy-1-methyl-ethyl]thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H19N3O4S/c1-9(8-20-2)15-14(22)17-16-12(18)10-4-6-11(7-5-10)13(19)21-3/h4-7,9H,8H2,1-3H3,(H,16,18)(H2,15,17,22)/t9-/m1/s1