(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCN(C)C

InChI

InChI=1S/C15H22N4O4S/c1-11(20)17-14(15(21)16-7-8-18(2)3)10-24-13-6-4-5-12(9-13)19(22)23/h4-6,9,14H,7-8,10H2,1-3H3,(H,16,21)(H,17,20)/t14-/m1/s1