3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide Openeye Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: 3-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C22H27N3O3S/c1-3-4-5-6-14-28-19-12-10-16(11-13-19)21(27)25-22(29)24-18-9-7-8-17(15-18)20(26)23-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27,29)