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

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C25H16BrN3O3S MolecularWeight: 518.38184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=C5C=CC(=O)C(=C5)Br)N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=C5C=CC(=O)C(=C5)Br)N4

InChI

InChI=1S/C25H16BrN3O3S/c26-19-12-17(7-9-21(19)30)24-28-20-13-18(8-10-22(20)32-24)27-25(33)29-23(31)16-6-5-14-3-1-2-4-15(14)11-16/h1-13,28H,(H2,27,29,31,33)