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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C28H23BrClN5OS MolecularWeight: 592.93712

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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=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

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

InChI

InChI=1S/C28H23BrClN5OS/c1-2-3-6-17-11-13-18(14-12-17)35-33-25-15-23(30)24(16-26(25)34-35)31-28(37)32-27(36)21-9-4-8-20-19(21)7-5-10-22(20)29/h4-5,7-16H,2-3,6H2,1H3,(H2,31,32,36,37)