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

Systemtic Name: N-[[2-(6-chloranylpyridin-3-yl)ethanoylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[[2-(6-chloro-3-pyridyl)acetyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(6-chloro-3-pyridinyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[[2-(6-chloropyridin-3-yl)acetyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[[2-(6-chloro-3-pyridyl)acetyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CN=C(C=C2)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-24-12-5-3-11(4-6-12)15(23)19-16(25)21-20-14(22)8-10-2-7-13(17)18-9-10/h2-7,9H,8H2,1H3,(H,20,22)(H2,19,21,23,25)