N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]hexanamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC(=O)NC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC(=O)NC

InChI

InChI=1S/C16H23N3O2S/c1-3-4-5-6-14(20)19-16(22)18-13-9-7-12(8-10-13)11-15(21)17-2/h7-10H,3-6,11H2,1-2H3,(H,17,21)(H2,18,19,20,22)