N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S2/c1-31-21-11-10-17(33(29,30)27-12-6-2-3-7-13-27)14-20(21)26-22(28)15-32-23-18-8-4-5-9-19(18)24-16-25-23/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,26,28)