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

Systemtic Name: 3,5-diethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,5-diethoxy-N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-diethoxy-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-diethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,5-diethoxy-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C)OCC

InChI

InChI=1S/C28H29N3O4S/c1-5-33-22-13-20(14-23(16-22)34-6-2)26(32)31-28(36)29-21-11-12-25-24(15-21)30-27(35-25)19-9-7-18(8-10-19)17(3)4/h7-17H,5-6H2,1-4H3,(H2,29,31,32,36)