N-[4-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-methoxybenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-(p-anisoylthiocarbamoylamino)phenyl]coumarilamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H21N3O4S/c1-15-13-18(26-25(33)28-23(29)16-7-10-19(31-2)11-8-16)9-12-20(15)27-24(30)22-14-17-5-3-4-6-21(17)32-22/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,33)