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

Systemtic Name: 3-methyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: N-[4-[(isovalerylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C21H24N4O3S/c1-13(2)11-18(26)23-21(29)25-24-20(28)15-7-9-17(10-8-15)22-19(27)16-6-4-5-14(3)12-16/h4-10,12-13H,11H2,1-3H3,(H,22,27)(H,24,28)(H2,23,25,26,29)