N-(3-methylphenyl)-3-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3-methylphenyl)-3-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(m-tolyl)-3-(octanoylcarbamothioylamino)benzamide CAS Name: N-(3-methylphenyl)-3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-3-(octanoylcarbamothioylamino)benzamide Traditional Name: 3-(caprylylthiocarbamoylamino)-N-(m-tolyl)benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C23H29N3O2S/c1-3-4-5-6-7-14-21(27)26-23(29)25-20-13-9-11-18(16-20)22(28)24-19-12-8-10-17(2)15-19/h8-13,15-16H,3-7,14H2,1-2H3,(H,24,28)(H2,25,26,27,29)