[5-(carbamothioylamino)-2-pyrrolidin-1-yl-phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [5-(carbamothioylamino)-2-pyrrolidin-1-yl-phenyl]methyl-carboxy-carbamic acid Openeye Name: [5-(carbamothioylamino)-2-pyrrolidin-1-yl-phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-(1-pyrrolidinyl)phenyl]methyl-carboxycarbamic acid IUPAC Name: [5-(carbamothioylamino)-2-pyrrolidin-1-ylphenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-(2-pyrrolidino-5-thioureido-benzyl)carbamic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C14H18N4O4S/c15-12(23)16-10-3-4-11(17-5-1-2-6-17)9(7-10)8-18(13(19)20)14(21)22/h3-4,7H,1-2,5-6,8H2,(H,19,20)(H,21,22)(H3,15,16,23)