ethyl 4-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-2-29-20(28)13-8-14-23-19(27)15-30-22-25-18-12-7-6-11-17(18)21(26-22)24-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,27)(H,24,25,26)