N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)SCC(=O)N

InChI

InChI=1S/C19H18N4O6S/c20-17(24)11-30-16-5-2-1-4-13(16)21-18(25)6-3-9-22-14-8-7-12(23(27)28)10-15(14)29-19(22)26/h1-2,4-5,7-8,10H,3,6,9,11H2,(H2,20,24)(H,21,25)