N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-chloro-4-morpholino-phenyl)acetamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(3-chloro-4-morpholino-phenyl)acetamide Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4O3S/c28-22-16-20(10-11-24(22)31-12-14-35-15-13-31)29-25(33)18-36-27-30-23-9-5-4-8-21(23)26(34)32(27)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,29,33)