4-bromanyl-N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C25H18BrClN2O3S MolecularWeight: 541.84402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C25H18BrClN2O3S/c1-31-23-21(14-15-4-2-3-5-20(15)22(23)26)24(30)29-25(33)28-17-8-12-19(13-9-17)32-18-10-6-16(27)7-11-18/h2-14H,1H3,(H2,28,29,30,33)