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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-3-30(4-2)21-13-10-19(11-14-21)25-28-22-17-20(12-15-23(22)32-25)27-26(33)29-24(31)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3,(H2,27,29,31,33)