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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N5O3S/c1-30-16-10-8-15(9-11-16)13-20-25-26-22(31-20)24-19(28)7-4-12-27-14-23-18-6-3-2-5-17(18)21(27)29/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,24,26,28)