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

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-5-bromo-1-naphthamide Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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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=CC4=C3C=CC=C4Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C21H15BrN4O3S/c1-11(27)23-12-8-9-17-18(10-12)29-20(24-17)26-21(30)25-19(28)15-6-2-5-14-13(15)4-3-7-16(14)22/h2-10H,1H3,(H,23,27)(H2,24,25,26,28,30)