2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-hydroxyethyl)benzamide

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-hydroxyethyl)benzamide Openeye Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-hydroxyethyl)benzamide IUPAC Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide Traditional Name: 2-[(3-butoxybenzoyl)thiocarbamoylamino]-N-(2-hydroxyethyl)benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

InChI

InChI=1S/C21H25N3O4S/c1-2-3-13-28-16-8-6-7-15(14-16)19(26)24-21(29)23-18-10-5-4-9-17(18)20(27)22-11-12-25/h4-10,14,25H,2-3,11-13H2,1H3,(H,22,27)(H2,23,24,26,29)