N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-fluorophenyl)carbonylamino]-4-methyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-fluorophenyl)carbonylamino]-4-methyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-fluorobenzoyl)amino]-4-methyl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[[(2-fluorophenyl)-oxomethyl]amino]-4-methylbenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[(2-fluorobenzoyl)amino]-4-methyl-benzamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H22FN3O2S/c1-17-10-11-18(14-23(17)29-25(31)21-8-4-5-9-22(21)26)24(30)28-12-13-32-16-20-7-3-2-6-19(20)15-27/h2-11,14H,12-13,16H2,1H3,(H,28,30)(H,29,31)