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

Systemtic Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[4-[oxo-[[(1-oxohexylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[(caproylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-3-4-5-9-19(27)24-22(30)26-25-21(29)16-10-12-18(13-11-16)23-20(28)17-8-6-7-15(2)14-17/h6-8,10-14H,3-5,9H2,1-2H3,(H,23,28)(H,25,29)(H2,24,26,27,30)