2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]-N-(o-tolyl)acetamide CAS Name: 2-[4-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenoxy]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]phenoxy]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-[(Z)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]-N-(o-tolyl)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C22H28N4O2S/c1-4-5-14-23-22(29)26-25-17(3)18-10-12-19(13-11-18)28-15-21(27)24-20-9-7-6-8-16(20)2/h6-13H,4-5,14-15H2,1-3H3,(H,24,27)(H2,23,26,29)/b25-17-