2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: 2-[(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=C2C(=O)NC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC

InChI

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