N,N-diethyl-3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N,N-diethyl-3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N,N-diethyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N,N-diethyl-3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N,N-diethyl-3-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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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)N(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-4-7-8-9-17-31-22-15-13-19(14-16-22)23(29)27-25(32)26-21-12-10-11-20(18-21)24(30)28(5-2)6-3/h10-16,18H,4-9,17H2,1-3H3,(H2,26,27,29,32)