4-butoxy-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]benzamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H22N4O2S/c1-4-5-10-24-15-8-6-14(7-9-15)16(23)21-18(25)22-17-19-12(2)11-13(3)20-17/h6-9,11H,4-5,10H2,1-3H3,(H2,19,20,21,22,23,25)