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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C29H33N3O4S/c1-3-5-6-9-20-36-24-16-12-21(13-17-24)27(33)32-29(37)31-26-11-8-7-10-25(26)28(34)30-22-14-18-23(19-15-22)35-4-2/h7-8,10-19H,3-6,9,20H2,1-2H3,(H,30,34)(H2,31,32,33,37)