2-[(3-fluorophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(3-fluorophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(3-fluoroanilino)-oxomethyl]-prop-2-enylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-fluorophenyl)carbamoyl-prop-2-enylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(3-fluorophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC(=CC=C3)F

InChI

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