N-[4-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]phenyl]valeramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O3S/c1-3-4-5-20(26)23-18-10-12-19(13-11-18)28-14-21(27)24-17-8-6-16(7-9-17)22-15(2)25/h6-13H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)