N-[4-[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2-anilino-2-oxo-ethyl)-(2-furylmethyl)amino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[(2-anilino-2-oxoethyl)-(2-furanylmethyl)amino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)amino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2-anilino-2-keto-ethyl)-(2-furfuryl)amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CO2)C(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CO2)C(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N3O4S/c26-20(24-17-7-2-1-3-8-17)16-25(15-18-9-5-13-29-18)21(27)11-4-12-23-22(28)19-10-6-14-30-19/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,23,28)(H,24,26)