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

Systemtic Name: [5-(carbamothioylamino)-2-ethyl-phenyl]methyl-carboxy-carbamic acid Openeye Name: [5-(carbamothioylamino)-2-ethyl-phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-ethylphenyl]methyl-carboxycarbamic acid IUPAC Name: [5-(carbamothioylamino)-2-ethylphenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-(2-ethyl-5-thioureido-benzyl)carbamic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C12H15N3O4S/c1-2-7-3-4-9(14-10(13)20)5-8(7)6-15(11(16)17)12(18)19/h3-5H,2,6H2,1H3,(H,16,17)(H,18,19)(H3,13,14,20)