N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2-methoxyethyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(2-methoxyethyl)-4-oxo-3-phenethyl-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2-methoxyethyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-N-(2-methoxyethyl)-3-phenethyl-quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-33-17-15-28-25(31)22-12-13-23-24(18-22)29-27(34-19-21-10-6-3-7-11-21)30(26(23)32)16-14-20-8-4-2-5-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,31)