(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide Openeye Name: (2S)-2-acetamido-N,N-diallyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N,N-bis(prop-2-enyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide Traditional Name: (2S)-2-acetamido-N,N-diallyl-3-[(3-nitrophenyl)thio]propionamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-9-19(10-5-2)17(22)16(18-13(3)21)12-25-15-8-6-7-14(11-15)20(23)24/h4-8,11,16H,1-2,9-10,12H2,3H3,(H,18,21)/t16-/m1/s1