N-[4-(hexanoylcarbamothioylamino)phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-3-methyl-benzamide Openeye Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-3-methylbenzamide Traditional Name: N-[4-(caproylthiocarbamoylamino)phenyl]-3-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=C2)C

Isomeric SMILES

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

InChI

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