N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3-isopropoxy-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N4O4S/c1-11(2)27-15-6-4-5-13(9-15)18(26)23-20(29)24-19-22-16-8-7-14(21-12(3)25)10-17(16)28-19/h4-11H,1-3H3,(H,21,25)(H2,22,23,24,26,29)