2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-hydroxypropyl)benzamide IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-N-(3-hydroxypropyl)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-2-3-15-29-17-11-9-16(10-12-17)20(27)25-22(30)24-19-8-5-4-7-18(19)21(28)23-13-6-14-26/h4-5,7-12,26H,2-3,6,13-15H2,1H3,(H,23,28)(H2,24,25,27,30)