N-[3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methylphenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-methyl-phenyl]-2-furamide Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C22H21N3O4S/c1-3-28-17-7-4-6-15(12-17)20(26)25-22(30)24-18-13-16(10-9-14(18)2)23-21(27)19-8-5-11-29-19/h4-13H,3H2,1-2H3,(H,23,27)(H2,24,25,26,30)