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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(2-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(o-tolylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[(2-methylanilino)-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(2-methylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(o-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=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

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