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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(hexanoylcarbamothioylamino)benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-(hexanoylcarbamothioylamino)benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(hexanoylcarbamothioylamino)benzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-(3,4-dimethylphenyl)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-5-6-11-20(26)25-22(28)24-19-10-8-7-9-18(19)21(27)23-17-13-12-15(2)16(3)14-17/h7-10,12-14H,4-6,11H2,1-3H3,(H,23,27)(H2,24,25,26,28)