1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-1-propyl-thiourea

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(4-fluorobenzyl)-1-propyl-thiourea Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20ClFN4OS/c1-2-9-26(20(28)23-11-13-3-6-15(22)7-4-13)12-18-24-17-10-14(21)5-8-16(17)19(27)25-18/h3-8,10H,2,9,11-12H2,1H3,(H,23,28)(H,24,25,27)