N-(3,4-dimethylphenyl)-2-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-(octanoylcarbamothioylamino)benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(octanoylcarbamothioylamino)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-(3,4-dimethylphenyl)benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C24H31N3O2S/c1-4-5-6-7-8-13-22(28)27-24(30)26-21-12-10-9-11-20(21)23(29)25-19-15-14-17(2)18(3)16-19/h9-12,14-16H,4-8,13H2,1-3H3,(H,25,29)(H2,26,27,28,30)