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

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-5-15-28-17-12-10-16(11-13-17)20(26)25-22(29)24-19-9-7-6-8-18(19)21(27)23-14-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,23,27)(H2,24,25,26,29)