N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N5O3S/c1-29-15-8-6-14(7-9-15)12-19-24-25-21(30-19)23-18(27)10-11-26-13-22-17-5-3-2-4-16(17)20(26)28/h2-9,13H,10-12H2,1H3,(H,23,25,27)