N-[4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(2,6-dimethoxybenzoyl)carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[(2,6-dimethoxybenzoyl)carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H21N3O5S/c1-13-12-14(9-10-15(13)24-20(26)18-8-5-11-30-18)23-22(31)25-21(27)19-16(28-2)6-4-7-17(19)29-3/h4-12H,1-3H3,(H,24,26)(H2,23,25,27,31)