N-butan-2-yl-3-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-butan-2-yl-3-(octanoylcarbamothioylamino)benzamide Openeye Name: 3-(octanoylcarbamothioylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-(octanoylcarbamothioylamino)benzamide Traditional Name: 3-(caprylylthiocarbamoylamino)-N-sec-butyl-benzamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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