5-bromanyl-2-chloranyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C20H12BrClN4O2S MolecularWeight: 487.75688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)N=C(O2)C4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)N=C(O2)C4=CC=NC=C4

InChI

InChI=1S/C20H12BrClN4O2S/c21-12-1-3-15(22)14(9-12)18(27)26-20(29)24-13-2-4-17-16(10-13)25-19(28-17)11-5-7-23-8-6-11/h1-10H,(H2,24,26,27,29)