5-(phenylcarbonylcarbamothioylamino)-1-propyl-imidazol-1-ium-1-carboxamide

Systemtic Name: 5-(phenylcarbonylcarbamothioylamino)-1-propyl-imidazol-1-ium-1-carboxamide Openeye Name: 5-(benzoylcarbamothioylamino)-1-propyl-imidazol-1-ium-1-carboxamide CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-1-propyl-1-imidazol-1-iumcarboxamide IUPAC Name: 5-(benzoylcarbamothioylamino)-1-propylimidazol-1-ium-1-carboxamide Traditional Name: 5-(benzoylthiocarbamoylamino)-1-propyl-imidazol-1-ium-1-carboxamide Formula: C15H18N5O2S+ MolecularWeight: 332.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NC=C1NC(=S)NC(=O)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCC[N+]1(C=NC=C1NC(=S)NC(=O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C15H17N5O2S/c1-2-8-20(14(16)22)10-17-9-12(20)18-15(23)19-13(21)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H3-,16,18,19,21,22,23)/p+1