[3-(carbamothioylamino)-2,6-dimethoxy-phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [3-(carbamothioylamino)-2,6-dimethoxy-phenyl]methyl-carboxy-carbamic acid Openeye Name: [3-(carbamothioylamino)-2,6-dimethoxy-phenyl]methyl-carboxy-carbamic acid CAS Name: [3-(carbamothioylamino)-2,6-dimethoxyphenyl]methyl-carboxycarbamic acid IUPAC Name: [3-(carbamothioylamino)-2,6-dimethoxyphenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-(2,6-dimethoxy-3-thioureido-benzyl)carbamic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)NC(=S)N)OC)CN(C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)NC(=S)N)OC)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C12H15N3O6S/c1-20-8-4-3-7(14-10(13)22)9(21-2)6(8)5-15(11(16)17)12(18)19/h3-4H,5H2,1-2H3,(H,16,17)(H,18,19)(H3,13,14,22)