N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(m-tolylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[(3-methylanilino)-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(m-tolylcarbamoyl)amino]-N-(4-fluorobenzyl)-N-(2-thenyl)acetamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C25H26FN3O2S/c1-3-13-28(25(31)27-22-7-4-6-19(2)15-22)18-24(30)29(17-23-8-5-14-32-23)16-20-9-11-21(26)12-10-20/h3-12,14-15H,1,13,16-18H2,2H3,(H,27,31)