2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

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