4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 4-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-3-4-5-14-27-18-12-8-16(9-13-18)20(26)24-21(28)23-17-10-6-15(7-11-17)19(22)25/h6-13H,2-5,14H2,1H3,(H2,22,25)(H2,23,24,26,28)