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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5OS/c1-3-4-7-20-10-14-24(15-11-20)34-32-26-16-19(2)25(18-27(26)33-34)30-29(36)31-28(35)23-13-12-21-8-5-6-9-22(21)17-23/h5-6,8-18H,3-4,7H2,1-2H3,(H2,30,31,35,36)