N-(furan-2-ylmethyl)-2-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(2-furylmethyl)-2-(octanoylcarbamothioylamino)benzamide CAS Name: N-(2-furanylmethyl)-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-(octanoylcarbamothioylamino)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-(2-furfuryl)benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CO2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CO2

InChI

InChI=1S/C21H27N3O3S/c1-2-3-4-5-6-13-19(25)24-21(28)23-18-12-8-7-11-17(18)20(26)22-15-16-10-9-14-27-16/h7-12,14H,2-6,13,15H2,1H3,(H,22,26)(H2,23,24,25,28)