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

Systemtic Name: N-[3-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxyphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide Traditional Name: N-[3-[(4-ethoxybenzoyl)thiocarbamoylamino]-4-methoxy-phenyl]-2-furamide Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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