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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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