2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C23H25N4O4S2- MolecularWeight: 485.599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])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)/p-1