3-(4-methoxyphenyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S

InChI

InChI=1S/C21H21N3O3S/c1-27-16-8-6-15(7-9-16)24-20(26)17-10-5-14(13-18(17)22-21(24)28)19(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,28)