4-azido-N-butyl-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanamide

Systemtic Name: 4-azido-N-butyl-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanamide Openeye Name: 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoyl azide CAS Name: 4-azido-N-butyl-3-[[(2-nitrophenyl)thio]amino]-4-oxobutanamide IUPAC Name: 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoyl azide Traditional Name: 4-azido-N-butyl-4-keto-3-[[(2-nitrophenyl)thio]amino]butyramide Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(C(=O)N=[N+]=[N-])NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CC(C(=O)N=[N+]=[N-])NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O4S/c1-2-3-8-16-13(21)9-10(14(22)17-19-15)18-25-12-7-5-4-6-11(12)20(23)24/h4-7,10,18H,2-3,8-9H2,1H3,(H,16,21)