4-nitrooxybutyl [2-azanyl-5-(carbamothioylamino)pentanoyl]sulfanylmethanoate hydrochloride

Systemtic Name: 4-nitrooxybutyl [2-azanyl-5-(carbamothioylamino)pentanoyl]sulfanylmethanoate hydrochloride Openeye Name: 4-nitrooxybutyl [2-amino-5-(carbamothioylamino)pentanoyl]sulfanylformate hydrochloride CAS Name: [[2-amino-5-(carbamothioylamino)-1-oxopentyl]thio]formic acid 4-nitrooxybutyl ester hydrochloride IUPAC Name: 4-nitrooxybutyl [2-amino-5-(carbamothioylamino)pentanoyl]sulfanylformate hydrochloride Traditional Name: [(2-amino-5-thioureido-pentanoyl)thio]formic acid 4-nitrooxybutyl ester hydrochloride Formula: C11H21ClN4O6S2 MolecularWeight: 404.89064

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Descriptors Computed from Structure

Canonical SMILES:

C(CCO[N+](=O)[O-])COC(=O)SC(=O)C(CCCNC(=S)N)N.Cl

Isomeric SMILES

C(CCO[N+](=O)[O-])COC(=O)SC(=O)C(CCCNC(=S)N)N.Cl

InChI

InChI=1S/C11H20N4O6S2.ClH/c12-8(4-3-5-14-10(13)22)9(16)23-11(17)20-6-1-2-7-21-15(18)19;/h8H,1-7,12H2,(H3,13,14,22);1H