methyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthiocarbamoylamino]benzoic acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1(OCC(O1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C15H20N2O4S/c1-15(2)20-9-12(21-15)8-16-14(22)17-11-6-4-10(5-7-11)13(18)19-3/h4-7,12H,8-9H2,1-3H3,(H2,16,17,22)