2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(3-methoxypropyl)benzamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-3-4-5-8-18-32-20-14-12-19(13-15-20)23(29)28-25(33)27-22-11-7-6-10-21(22)24(30)26-16-9-17-31-2/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3,(H,26,30)(H2,27,28,29,33)