N-[4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(2-furylmethylcarbamoyl)anilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[2-[(2-furanylmethylamino)-oxomethyl]anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(2-furfurylcarbamoyl)anilino]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c25-19(10-3-11-22-21(27)18-9-5-13-29-18)24-17-8-2-1-7-16(17)20(26)23-14-15-6-4-12-28-15/h1-2,4-9,12-13H,3,10-11,14H2,(H,22,27)(H,23,26)(H,24,25)