4-bromanyl-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C25H17BrClN5O2S MolecularWeight: 566.85678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl)Br

InChI

InChI=1S/C25H17BrClN5O2S/c1-34-23-19(12-14-4-2-3-5-18(14)22(23)26)24(33)29-25(35)28-16-8-11-20-21(13-16)31-32(30-20)17-9-6-15(27)7-10-17/h2-13H,1H3,(H2,28,29,33,35)