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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-3-bromo-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-bromobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-3-bromo-benzamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C21H13BrClN3O2S/c22-13-5-3-4-12(10-13)19(27)26-21(29)24-14-8-9-16(23)15(11-14)20-25-17-6-1-2-7-18(17)28-20/h1-11H,(H2,24,26,27,29)