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

Systemtic Name: N-[2-methyl-4-[(3-methylphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-(m-toluoylthiocarbamoylamino)phenyl]coumarilamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3S/c1-15-6-5-8-18(12-15)23(29)28-25(32)26-19-10-11-20(16(2)13-19)27-24(30)22-14-17-7-3-4-9-21(17)31-22/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,32)