N-[[3,5-bis(chloranyl)-4-(2-cyclopropylpyrimidin-5-yl)oxy-phenyl]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)-4-(2-cyclopropylpyrimidin-5-yl)oxy-phenyl]carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[3,5-dichloro-4-(2-cyclopropylpyrimidin-5-yl)oxy-phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3,5-dichloro-4-[(2-cyclopropyl-5-pyrimidinyl)oxy]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3,5-dichloro-4-(2-cyclopropylpyrimidin-5-yl)oxyphenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3,5-dichloro-4-(2-cyclopropylpyrimidin-5-yl)oxy-phenyl]thiocarbamoyl]benzamide Formula: C21H15BrCl2N4O2S MolecularWeight: 538.2444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC=C(C=N2)OC3=C(C=C(C=C3Cl)NC(=S)NC(=O)C4=CC=CC=C4Br)Cl

Isomeric SMILES

C1CC1C2=NC=C(C=N2)OC3=C(C=C(C=C3Cl)NC(=S)NC(=O)C4=CC=CC=C4Br)Cl

InChI

InChI=1S/C21H15BrCl2N4O2S/c22-15-4-2-1-3-14(15)20(29)28-21(31)27-12-7-16(23)18(17(24)8-12)30-13-9-25-19(26-10-13)11-5-6-11/h1-4,7-11H,5-6H2,(H2,27,28,29,31)