2-methyl-N-[4-(octanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-methyl-N-[4-(octanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-methyl-N-[4-(octanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-methyl-N-[4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-(octanoylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[4-(caprylylthiocarbamoylamino)phenyl]-2-methyl-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

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