5-bromanyl-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C27H16BrClN2O3S MolecularWeight: 563.84954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

InChI

InChI=1S/C27H16BrClN2O3S/c28-22-9-4-6-17-18(22)7-3-8-20(17)25(32)31-27(35)30-16-11-12-19(23(29)14-16)21-13-15-5-1-2-10-24(15)34-26(21)33/h1-14H,(H2,30,31,32,35)