N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C28H24ClN5OS MolecularWeight: 514.04106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H24ClN5OS/c1-2-3-6-18-9-13-22(14-10-18)34-32-25-16-23(29)24(17-26(25)33-34)30-28(36)31-27(35)21-12-11-19-7-4-5-8-20(19)15-21/h4-5,7-17H,2-3,6H2,1H3,(H2,30,31,35,36)