5-bromanyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-1-naphthamide Formula: C28H22BrN3O3S MolecularWeight: 560.46158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)N2

InChI

InChI=1S/C28H22BrN3O3S/c1-3-16-10-11-24-23(13-16)31-27(35-24)21-14-17(12-15(2)25(21)33)30-28(36)32-26(34)20-8-4-7-19-18(20)6-5-9-22(19)29/h4-14,31H,3H2,1-2H3,(H2,30,32,34,36)