N-(furan-2-ylmethyl)-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(2-furfuryl)benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C25H27N3O4S/c1-2-3-6-15-31-19-13-11-18(12-14-19)23(29)28-25(33)27-22-10-5-4-9-21(22)24(30)26-17-20-8-7-16-32-20/h4-5,7-14,16H,2-3,6,15,17H2,1H3,(H,26,30)(H2,27,28,29,33)