5-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C29H26BrN5OS MolecularWeight: 572.51864

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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=CC=CC5=C4C=CC=C5Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)C

InChI

InChI=1S/C29H26BrN5OS/c1-3-4-7-19-12-14-20(15-13-19)35-33-26-16-18(2)25(17-27(26)34-35)31-29(37)32-28(36)23-10-5-9-22-21(23)8-6-11-24(22)30/h5-6,8-17H,3-4,7H2,1-2H3,(H2,31,32,36,37)