N-[[4,6-bis(bromanyl)-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[4,6-bis(bromanyl)-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C18H14Br2ClN3O2S MolecularWeight: 531.64866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=C2C(=C1Br)N=C(O2)C3=CC=CC=C3Cl)Br

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=C2C(=C1Br)N=C(O2)C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C18H14Br2ClN3O2S/c1-2-5-13(25)22-18(27)24-15-10(19)8-12-16(14(15)20)23-17(26-12)9-6-3-4-7-11(9)21/h3-4,6-8H,2,5H2,1H3,(H2,22,24,25,27)