N-[2-(pyrimidin-2-ylmethylamino)ethylcarbamothioyl]benzamide

Systemtic Name: N-[2-(pyrimidin-2-ylmethylamino)ethylcarbamothioyl]benzamide Openeye Name: N-[2-(pyrimidin-2-ylmethylamino)ethylcarbamothioyl]benzamide CAS Name: N-[[2-(2-pyrimidinylmethylamino)ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-(pyrimidin-2-ylmethylamino)ethylcarbamothioyl]benzamide Traditional Name: N-[2-(2-pyrimidylmethylamino)ethylthiocarbamoyl]benzamide Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NCCNCC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NCCNCC2=NC=CC=N2

InChI

InChI=1S/C15H17N5OS/c21-14(12-5-2-1-3-6-12)20-15(22)19-10-9-16-11-13-17-7-4-8-18-13/h1-8,16H,9-11H2,(H2,19,20,21,22)