3-[(4-methoxyphenyl)-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-methoxyphenyl)-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(4-methoxy-N-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide CAS Name: 3-(4-methoxy-N-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(4-methoxy-N-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(4-methoxy-N-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]anilino)propionamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H22N4O3S2/c1-31-17-10-8-16(9-11-17)28(13-12-21(25)29)22(30)15-33-24-18-5-2-3-6-19(18)26-23(27-24)20-7-4-14-32-20/h2-11,14H,12-13,15H2,1H3,(H2,25,29)