1-butyl-3-(4-fluorophenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-butyl-3-(4-fluorophenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(4-fluorophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(4-fluorophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(4-fluorophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(4-fluorophenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C20H21FN4OS MolecularWeight: 384.470343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-2-3-12-25(20(27)22-15-10-8-14(21)9-11-15)13-18-23-17-7-5-4-6-16(17)19(26)24-18/h4-11H,2-3,12-13H2,1H3,(H,22,27)(H,23,24,26)