N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C24H20BrN3O3S/c1-2-13-30-17-10-7-15(8-11-17)22(29)28-24(32)26-16-9-12-21-20(14-16)27-23(31-21)18-5-3-4-6-19(18)25/h3-12,14H,2,13H2,1H3,(H2,26,28,29,32)