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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C27H27N3O5S MolecularWeight: 505.58538

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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=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H27N3O5S/c1-4-32-22-15-18(16-23(33-5-2)24(22)34-6-3)25(31)30-27(36)28-19-11-9-10-17(14-19)26-29-20-12-7-8-13-21(20)35-26/h7-16H,4-6H2,1-3H3,(H2,28,30,31,36)