(2R)-N-(2-cyanophenyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C23H18N4O2S/c1-14(21(28)25-19-10-6-5-9-17(19)13-24)30-23-26-20-12-16-8-4-3-7-15(16)11-18(20)22(29)27(23)2/h3-12,14H,1-2H3,(H,25,28)/t14-/m1/s1