N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-phenethyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2-furylmethyl)-N-phenethyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-phenethylacetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]-N-phenethylacetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-(2-furfuryl)-N-phenethyl-acetamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C26H29N3O3S/c1-3-16-29(26(31)27-22-11-13-24(33-2)14-12-22)20-25(30)28(19-23-10-7-18-32-23)17-15-21-8-5-4-6-9-21/h3-14,18H,1,15-17,19-20H2,2H3,(H,27,31)