7-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)NC1=S

InChI

InChI=1S/C23H23FN4O2S/c1-2-9-28-22(30)18-8-7-16(14-20(18)25-23(28)31)21(29)27-12-10-26(11-13-27)15-17-5-3-4-6-19(17)24/h2-8,14H,1,9-13,15H2,(H,25,31)