N,N-dimethyl-2-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N,N-dimethyl-2-(octanoylcarbamothioylamino)benzamide Openeye Name: N,N-dimethyl-2-(octanoylcarbamothioylamino)benzamide CAS Name: N,N-dimethyl-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-dimethyl-2-(octanoylcarbamothioylamino)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N,N-dimethyl-benzamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C

InChI

InChI=1S/C18H27N3O2S/c1-4-5-6-7-8-13-16(22)20-18(24)19-15-12-10-9-11-14(15)17(23)21(2)3/h9-12H,4-8,13H2,1-3H3,(H2,19,20,22,24)