4-[[4-(2-azanylpyrimidin-4-yl)-3-chloranyl-phenyl]carbamothioylamino]benzamide

Systemtic Name: 4-[[4-(2-azanylpyrimidin-4-yl)-3-chloranyl-phenyl]carbamothioylamino]benzamide Openeye Name: 4-[[4-(2-aminopyrimidin-4-yl)-3-chloro-phenyl]carbamothioylamino]benzamide CAS Name: 4-[[[4-(2-amino-4-pyrimidinyl)-3-chloroanilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[4-(2-aminopyrimidin-4-yl)-3-chlorophenyl]carbamothioylamino]benzamide Traditional Name: 4-[[4-(2-aminopyrimidin-4-yl)-3-chloro-phenyl]thiocarbamoylamino]benzamide Formula: C18H15ClN6OS MolecularWeight: 398.8693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC(=C(C=C2)C3=NC(=NC=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC(=C(C=C2)C3=NC(=NC=C3)N)Cl

InChI

InChI=1S/C18H15ClN6OS/c19-14-9-12(5-6-13(14)15-7-8-22-17(21)25-15)24-18(27)23-11-3-1-10(2-4-11)16(20)26/h1-9H,(H2,20,26)(H2,21,22,25)(H2,23,24,27)