3,5-diacetamido-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 3,5-diacetamido-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]benzamide Openeye Name: 3,5-diacetamido-N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]benzamide CAS Name: 3,5-diacetamido-N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]benzamide IUPAC Name: 3,5-diacetamido-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]benzamide Traditional Name: 3,5-diacetamido-N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]benzamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCCSCC2=CC=C(S2)Br)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NCCSCC2=CC=C(S2)Br)NC(=O)C

InChI

InChI=1S/C18H20BrN3O3S2/c1-11(23)21-14-7-13(8-15(9-14)22-12(2)24)18(25)20-5-6-26-10-16-3-4-17(19)27-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)