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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C26H22ClN5O2S MolecularWeight: 504.00318

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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=C5O4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H22ClN5O2S/c1-2-3-6-16-9-11-18(12-10-16)32-30-21-14-19(27)20(15-22(21)31-32)28-26(35)29-25(33)24-13-17-7-4-5-8-23(17)34-24/h4-5,7-15H,2-3,6H2,1H3,(H2,28,29,33,35)