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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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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=CO4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H23N5O2S/c1-3-4-6-16-8-10-17(11-9-16)28-26-19-13-15(2)18(14-20(19)27-28)24-23(31)25-22(29)21-7-5-12-30-21/h5,7-14H,3-4,6H2,1-2H3,(H2,24,25,29,31)