N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(2-acetamidoethyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2-acetamidoethyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-9(13(18)15-8-7-14-10(2)17)21-12-5-3-11(4-6-12)16(19)20/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18)