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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(benzylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[oxo-[(phenylmethyl)amino]methyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(benzylcarbamoyl)amino]-N-(4-fluorobenzyl)-N-(2-thenyl)acetamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H26FN3O2S/c1-2-14-28(25(31)27-16-20-7-4-3-5-8-20)19-24(30)29(18-23-9-6-15-32-23)17-21-10-12-22(26)13-11-21/h2-13,15H,1,14,16-19H2,(H,27,31)