2-methyl-N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[[2-(o-tolyl)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[[2-(o-tolyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

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