N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(ethylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(ethylamino)-2-oxoethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(ethylamino)-2-oxoethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(ethylamino)-2-keto-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-3-14-12(17)8-15-13(18)9(2)21-11-6-4-10(5-7-11)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,17)(H,15,18)