[5-(carbamothioylamino)-2-[ethanoyl(methyl)amino]phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [5-(carbamothioylamino)-2-[ethanoyl(methyl)amino]phenyl]methyl-carboxy-carbamic acid Openeye Name: [2-[acetyl(methyl)amino]-5-(carbamothioylamino)phenyl]methyl-carboxy-carbamic acid CAS Name: [2-[acetyl(methyl)amino]-5-(carbamothioylamino)phenyl]methyl-carboxycarbamic acid IUPAC Name: [2-[acetyl(methyl)amino]-5-(carbamothioylamino)phenyl]methyl-carboxycarbamic acid Traditional Name: [2-[acetyl(methyl)amino]-5-thioureido-benzyl]-carboxy-carbamic acid Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5S/c1-7(18)16(2)10-4-3-9(15-11(14)23)5-8(10)6-17(12(19)20)13(21)22/h3-5H,6H2,1-2H3,(H,19,20)(H,21,22)(H3,14,15,23)