2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C26H33N3O4S/c1-2-3-4-7-16-32-20-14-12-19(13-15-20)24(30)29-26(34)28-23-11-6-5-10-22(23)25(31)27-18-21-9-8-17-33-21/h5-6,10-15,21H,2-4,7-9,16-18H2,1H3,(H,27,31)(H2,28,29,30,34)