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

Systemtic Name: 4-bromanyl-3-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C26H20BrN5O3S MolecularWeight: 562.4377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C26H20BrN5O3S/c1-34-18-10-8-17(9-11-18)32-30-21-12-7-16(14-22(21)31-32)28-26(36)29-25(33)20-13-15-5-3-4-6-19(15)23(27)24(20)35-2/h3-14H,1-2H3,(H2,28,29,33,36)