N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[4-[oxo-[[(1-oxobutylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(butyrylthiocarbamoylamino)carbamoyl]phenyl]-2-methyl-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H22N4O3S/c1-3-6-17(25)22-20(28)24-23-18(26)14-9-11-15(12-10-14)21-19(27)16-8-5-4-7-13(16)2/h4-5,7-12H,3,6H2,1-2H3,(H,21,27)(H,23,26)(H2,22,24,25,28)