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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-(4-fluorobenzyl)-N-(2-thenyl)acetamide Formula: C25H26FN3O2S2 MolecularWeight: 483.621243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C25H26FN3O2S2/c1-3-14-28(25(31)27-21-10-12-22(32-2)13-11-21)18-24(30)29(17-23-5-4-15-33-23)16-19-6-8-20(26)9-7-19/h3-13,15H,1,14,16-18H2,2H3,(H,27,31)