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

Systemtic Name: 3,4,5-triethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C30H33N3O5S MolecularWeight: 547.66512

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O5S/c1-6-35-25-15-21(16-26(36-7-2)27(25)37-8-3)28(34)33-30(39)31-22-13-14-24-23(17-22)32-29(38-24)20-11-9-19(10-12-20)18(4)5/h9-18H,6-8H2,1-5H3,(H2,31,33,34,39)