[3-(carbamothioylamino)-5-methyl-phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [3-(carbamothioylamino)-5-methyl-phenyl]methyl-carboxy-carbamic acid Openeye Name: [3-(carbamothioylamino)-5-methyl-phenyl]methyl-carboxy-carbamic acid CAS Name: [3-(carbamothioylamino)-5-methylphenyl]methyl-carboxycarbamic acid IUPAC Name: [3-(carbamothioylamino)-5-methylphenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-(3-methyl-5-thioureido-benzyl)carbamic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C11H13N3O4S/c1-6-2-7(4-8(3-6)13-9(12)19)5-14(10(15)16)11(17)18/h2-4H,5H2,1H3,(H,15,16)(H,17,18)(H3,12,13,19)