N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H25N5OS/c1-2-3-7-19-12-15-22(16-13-19)33-31-25-17-14-21(18-26(25)32-33)29-28(35)30-27(34)24-11-6-9-20-8-4-5-10-23(20)24/h4-6,8-18H,2-3,7H2,1H3,(H2,29,30,34,35)