N-[4-(azepan-1-yl)phenyl]-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C28H29N5O2S/c34-26(30-22-11-13-23(14-12-22)32-16-5-1-2-6-17-32)20-36-28-31-25-10-4-3-9-24(25)27(35)33(28)19-21-8-7-15-29-18-21/h3-4,7-15,18H,1-2,5-6,16-17,19-20H2,(H,30,34)