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

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C18H15BrN4O4S MolecularWeight: 463.3051

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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O4S/c1-9(24)20-11-4-5-13-15(8-11)27-17(21-13)23-18(28)22-16(25)12-7-10(19)3-6-14(12)26-2/h3-8H,1-2H3,(H,20,24)(H2,21,22,23,25,28)