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

Systemtic Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-3-propoxy-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H27N3O3S/c1-4-14-32-22-7-5-6-20(15-22)25(31)30-27(34)28-21-12-13-24-23(16-21)29-26(33-24)19-10-8-18(9-11-19)17(2)3/h5-13,15-17H,4,14H2,1-3H3,(H2,28,30,31,34)