N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

InChI

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