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

Systemtic Name: 4-butoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H29N3O3S/c1-4-5-16-33-23-13-10-20(11-14-23)26(32)31-28(35)29-22-12-15-25-24(17-22)30-27(34-25)21-8-6-19(7-9-21)18(2)3/h6-15,17-18H,4-5,16H2,1-3H3,(H2,29,31,32,35)