N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=CC=CC=C4O3)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=CC=CC=C4O3)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H21N5O3S/c1-14-12-20-21(29-30(28-20)16-8-10-17(32-3)11-9-16)13-19(14)26-25(34)27-24(31)23-15(2)18-6-4-5-7-22(18)33-23/h4-13H,1-3H3,(H2,26,27,31,34)