N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-oxidanylidene-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazino]ethyl]-4-phenoxy-benzamide CAS Name: N-[2-oxo-2-[[(pentylamino)-sulfanylidenemethyl]hydrazo]ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-oxo-2-[2-(pentylcarbamothioyl)hydrazinyl]ethyl]-4-phenoxybenzamide Traditional Name: N-[2-[N'-(amylthiocarbamoyl)hydrazino]-2-keto-ethyl]-4-phenoxy-benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O3S/c1-2-3-7-14-22-21(29)25-24-19(26)15-23-20(27)16-10-12-18(13-11-16)28-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,23,27)(H,24,26)(H2,22,25,29)