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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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