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

Systemtic Name: [5-(carbamothioylamino)-2-[ethyl(methyl)amino]phenyl]methyl-carboxy-carbamic acid Openeye Name: [5-(carbamothioylamino)-2-[ethyl(methyl)amino]phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-[ethyl(methyl)amino]phenyl]methyl-carboxycarbamic acid IUPAC Name: [5-(carbamothioylamino)-2-[ethyl(methyl)amino]phenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-[2-[ethyl(methyl)amino]-5-thioureido-benzyl]carbamic acid Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-3-16(2)10-5-4-9(15-11(14)22)6-8(10)7-17(12(18)19)13(20)21/h4-6H,3,7H2,1-2H3,(H,18,19)(H,20,21)(H3,14,15,22)