2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-hydroxyethyl)benzamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-hydroxyethyl)benzamide Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-hydroxyethyl)benzamide IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-N-(2-hydroxyethyl)benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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