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

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C18H15BrN4O4S MolecularWeight: 463.3051

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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)Br

Isomeric SMILES

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

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)10-3-6-14(26-2)12(19)7-10/h3-8H,1-2H3,(H,20,24)(H2,21,22,23,25,28)