3-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetyl]amino]propionamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN4O4S/c1-32-12-11-28-22(31)18-8-7-17(24)13-19(18)26-23(28)33-15-21(30)27(10-9-20(25)29)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H2,25,29)