N-butan-2-yl-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 4-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-sec-butyl-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=C(C=C2)C(=O)NC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-4-6-7-8-17-31-22-15-11-20(12-16-22)24(30)28-25(32)27-21-13-9-19(10-14-21)23(29)26-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3,(H,26,29)(H2,27,28,30,32)