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

Systemtic Name: 2-acetamido-3-(3-bromophenyl)sulfanyl-N-heptyl-propanamide Openeye Name: 2-acetamido-3-(3-bromophenyl)sulfanyl-N-heptyl-propanamide CAS Name: 2-acetamido-3-[(3-bromophenyl)thio]-N-heptylpropanamide IUPAC Name: 2-acetamido-3-(3-bromophenyl)sulfanyl-N-heptylpropanamide Traditional Name: 2-acetamido-3-[(3-bromophenyl)thio]-N-heptyl-propionamide Formula: C18H27BrN2O2S MolecularWeight: 415.38818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C(CSC1=CC(=CC=C1)Br)NC(=O)C

Isomeric SMILES

CCCCCCCNC(=O)C(CSC1=CC(=CC=C1)Br)NC(=O)C

InChI

InChI=1S/C18H27BrN2O2S/c1-3-4-5-6-7-11-20-18(23)17(21-14(2)22)13-24-16-10-8-9-15(19)12-16/h8-10,12,17H,3-7,11,13H2,1-2H3,(H,20,23)(H,21,22)