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

Systemtic Name: 3,4,5-triethoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]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=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

InChI

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