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

Systemtic Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C27H26BrN3O5S MolecularWeight: 584.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H26BrN3O5S/c1-4-33-22-13-17(14-23(34-5-2)24(22)35-6-3)25(32)31-27(37)29-19-10-11-21-20(15-19)30-26(36-21)16-8-7-9-18(28)12-16/h7-15H,4-6H2,1-3H3,(H2,29,31,32,37)