N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H20N4O6S/c1-10(25)21-12-5-6-13-14(9-12)30-19(22-13)24-20(31)23-18(26)11-7-15(27-2)17(29-4)16(8-11)28-3/h5-9H,1-4H3,(H,21,25)(H2,22,23,24,26,31)