N-[3-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(2,5-dimethylphenyl)thiocarbamoylamino]methyl]phenyl]-2-furamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21N3O2S/c1-14-8-9-15(2)18(11-14)24-21(27)22-13-16-5-3-6-17(12-16)23-20(25)19-7-4-10-26-19/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,27)