N-[4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3,4-dimethylbenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(3,4-dimethylbenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3,4-dimethylbenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C26H23N3O3S/c1-15-8-9-19(12-16(15)2)24(30)29-26(33)27-20-10-11-21(17(3)13-20)28-25(31)23-14-18-6-4-5-7-22(18)32-23/h4-14H,1-3H3,(H,28,31)(H2,27,29,30,33)