3-(oxolan-2-ylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(oxolan-2-ylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-phenylpiperazine-1-carbonyl)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-oxolanylmethyl)-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(oxolan-2-ylmethyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-phenylpiperazine-1-carbonyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazolin-4-one Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

InChI

InChI=1S/C24H26N4O3S/c29-22(27-12-10-26(11-13-27)18-5-2-1-3-6-18)17-8-9-20-21(15-17)25-24(32)28(23(20)30)16-19-7-4-14-31-19/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2,(H,25,32)