N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-2-phenoxy-acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC(=O)COC2=CC=CC=C2

InChI

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