N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C25H21N5O2S/c1-3-16-8-11-18(12-9-16)30-28-20-13-10-17(14-21(20)29-30)26-25(33)27-24(31)23-15(2)19-6-4-5-7-22(19)32-23/h4-14H,3H2,1-2H3,(H2,26,27,31,33)