2-[(2-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[(2-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(2-hexoxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(2-hexoxybenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(2-hexoxybenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-2-3-4-12-21-35-26-18-11-9-16-24(26)28(34)32-29(36)31-25-17-10-8-15-23(25)27(33)30-20-19-22-13-6-5-7-14-22/h5-11,13-18H,2-4,12,19-21H2,1H3,(H,30,33)(H2,31,32,34,36)