2-acetamido-N-heptyl-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-heptyl-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: 2-acetamido-N-heptyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: 2-acetamido-N-heptyl-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: 2-acetamido-N-heptyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: 2-acetamido-N-heptyl-3-[(3-nitrophenyl)thio]propionamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-3-4-5-6-7-11-19-18(23)17(20-14(2)22)13-26-16-10-8-9-15(12-16)21(24)25/h8-10,12,17H,3-7,11,13H2,1-2H3,(H,19,23)(H,20,22)