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

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(octanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2CCCO2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2CCCO2

InChI

InChI=1S/C21H31N3O3S/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/h7-8,11-12,16H,2-6,9-10,13-15H2,1H3,(H,22,26)(H2,23,24,25,28)