N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]caprylamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H27N3O3S/c1-3-4-5-6-7-8-16(22)19-18(25)21-20-17(23)13-14-9-11-15(24-2)12-10-14/h9-12H,3-8,13H2,1-2H3,(H,20,23)(H2,19,21,22,25)