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

Systemtic Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-2-methyl-benzamide Openeye Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-2-methylbenzamide Traditional Name: N-[4-(caproylthiocarbamoylamino)phenyl]-2-methyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-4-5-10-19(25)24-21(27)23-17-13-11-16(12-14-17)22-20(26)18-9-7-6-8-15(18)2/h6-9,11-14H,3-5,10H2,1-2H3,(H,22,26)(H2,23,24,25,27)