N-[[2-(6-chloranylpyridin-3-yl)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[2-(6-chloranylpyridin-3-yl)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[[2-(6-chloro-3-pyridyl)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[2-(6-chloro-3-pyridinyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[[2-(6-chloropyridin-3-yl)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[[2-(6-chloro-3-pyridyl)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-10-2-5-12(6-3-10)15(23)19-16(24)21-20-14(22)8-11-4-7-13(17)18-9-11/h2-7,9H,8H2,1H3,(H,20,22)(H2,19,21,23,24)