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

Systemtic Name: 3-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-(octanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 3-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-(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(=C1)C(=O)NCC2CCCO2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

InChI

InChI=1S/C21H31N3O3S/c1-2-3-4-5-6-12-19(25)24-21(28)23-17-10-7-9-16(14-17)20(26)22-15-18-11-8-13-27-18/h7,9-10,14,18H,2-6,8,11-13,15H2,1H3,(H,22,26)(H2,23,24,25,28)