N-butyl-2-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-butyl-2-(octanoylcarbamothioylamino)benzamide Openeye Name: N-butyl-2-(octanoylcarbamothioylamino)benzamide CAS Name: N-butyl-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-2-(octanoylcarbamothioylamino)benzamide Traditional Name: N-butyl-2-(caprylylthiocarbamoylamino)benzamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-3-5-7-8-9-14-18(24)23-20(26)22-17-13-11-10-12-16(17)19(25)21-15-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,21,25)(H2,22,23,24,26)