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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23ClN4O3S2/c23-18-10-9-16(32(29,30)27-11-5-1-2-6-12-27)13-20(18)26-21(28)14-31-22-17-7-3-4-8-19(17)24-15-25-22/h3-4,7-10,13,15H,1-2,5-6,11-12,14H2,(H,26,28)