N-methyl-4-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-methyl-4-(octanoylcarbamothioylamino)benzamide Openeye Name: N-methyl-4-(octanoylcarbamothioylamino)benzamide CAS Name: N-methyl-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-methyl-4-(octanoylcarbamothioylamino)benzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-methyl-benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-4-5-6-7-8-15(21)20-17(23)19-14-11-9-13(10-12-14)16(22)18-2/h9-12H,3-8H2,1-2H3,(H,18,22)(H2,19,20,21,23)