N-[(E)-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylfuran-2-yl]methylideneamino]octanamide

Systemtic Name: N-[(E)-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylfuran-2-yl]methylideneamino]octanamide Openeye Name: N-[(E)-[5-(2-anilino-2-oxo-ethyl)sulfanyl-2-furyl]methyleneamino]octanamide CAS Name: N-[(E)-[5-[(2-anilino-2-oxoethyl)thio]-2-furanyl]methylideneamino]octanamide IUPAC Name: N-[(E)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]octanamide Traditional Name: N-[(E)-[5-[(2-anilino-2-keto-ethyl)thio]-2-furyl]methyleneamino]caprylamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=CC1=CC=C(O1)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N/N=C/C1=CC=C(O1)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3S/c1-2-3-4-5-9-12-19(25)24-22-15-18-13-14-21(27-18)28-16-20(26)23-17-10-7-6-8-11-17/h6-8,10-11,13-15H,2-5,9,12,16H2,1H3,(H,23,26)(H,24,25)/b22-15+