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

Systemtic Name: [5-(carbamothioylamino)-2-(ethylamino)phenyl]methyl-carboxy-carbamic acid Openeye Name: [5-(carbamothioylamino)-2-(ethylamino)phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-(ethylamino)phenyl]methyl-carboxycarbamic acid IUPAC Name: [5-(carbamothioylamino)-2-(ethylamino)phenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-[2-(ethylamino)-5-thioureido-benzyl]carbamic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C12H16N4O4S/c1-2-14-9-4-3-8(15-10(13)21)5-7(9)6-16(11(17)18)12(19)20/h3-5,14H,2,6H2,1H3,(H,17,18)(H,19,20)(H3,13,15,21)