N-[3-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-butoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-butoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-butoxybenzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H23N3O4S/c1-2-3-12-29-19-10-4-7-16(14-19)21(27)26-23(31)25-18-9-5-8-17(15-18)24-22(28)20-11-6-13-30-20/h4-11,13-15H,2-3,12H2,1H3,(H,24,28)(H2,25,26,27,31)