N-[3,4-bis(fluoranyl)phenyl]-2-[(4-butylphenyl)carbamothioylamino]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(4-butylphenyl)carbamothioylamino]ethanamide Openeye Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(3,4-difluorophenyl)acetamide CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-N-(3,4-difluorophenyl)acetamide IUPAC Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(3,4-difluorophenyl)acetamide Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-N-(3,4-difluorophenyl)acetamide Formula: C19H21F2N3OS MolecularWeight: 377.451346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C19H21F2N3OS/c1-2-3-4-13-5-7-14(8-6-13)24-19(26)22-12-18(25)23-15-9-10-16(20)17(21)11-15/h5-11H,2-4,12H2,1H3,(H,23,25)(H2,22,24,26)