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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C

InChI

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