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

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-isopropyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-isopropyl-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(=C2)C(=O)NC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C

InChI

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