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

Systemtic Name: 4-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 4-(octanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-(octanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 4-(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=C(C=C1)C(=O)NCC2CCCO2

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-2-3-4-5-6-9-19(25)24-21(28)23-17-12-10-16(11-13-17)20(26)22-15-18-8-7-14-27-18/h10-13,18H,2-9,14-15H2,1H3,(H,22,26)(H2,23,24,25,28)