N-[1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[2-[(2-fluorophenyl)methylthio]ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[1-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C22H27FN2O2S MolecularWeight: 402.525383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C22H27FN2O2S/c1-15(2)20(25-21(26)17-9-6-7-16(3)13-17)22(27)24-11-12-28-14-18-8-4-5-10-19(18)23/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,24,27)(H,25,26)