2-butyl-6-methyl-4-oxidanylidene-3-[[4-[2-(sulfinoamino)-1-benzothiophen-3-yl]phenyl]methyl]quinazoline

Systemtic Name: 2-butyl-6-methyl-4-oxidanylidene-3-[[4-[2-(sulfinoamino)-1-benzothiophen-3-yl]phenyl]methyl]quinazoline Openeye Name: 2-butyl-6-methyl-4-oxo-3-[[4-[2-(sulfinoamino)benzothiophen-3-yl]phenyl]methyl]quinazoline CAS Name: 2-butyl-6-methyl-4-oxo-3-[[4-[2-(sulfinoamino)-1-benzothiophen-3-yl]phenyl]methyl]quinazoline IUPAC Name: 2-butyl-6-methyl-4-oxo-3-[[4-[2-(sulfinoamino)-1-benzothiophen-3-yl]phenyl]methyl]quinazoline Traditional Name: 2-butyl-4-keto-6-methyl-3-[4-[2-(sulfinoamino)benzothiophen-3-yl]benzyl]quinazoline Formula: C28H27N3O3S2 MolecularWeight: 517.66228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)NS(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)NS(=O)O

InChI

InChI=1S/C28H27N3O3S2/c1-3-4-9-25-29-23-15-10-18(2)16-22(23)28(32)31(25)17-19-11-13-20(14-12-19)26-21-7-5-6-8-24(21)35-27(26)30-36(33)34/h5-8,10-16,30H,3-4,9,17H2,1-2H3,(H,33,34)