2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioyl]butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioyl]butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-[(2-methyl-4-oxo-quinazolin-3-yl)carbamothioyl]butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-[[(2-methyl-4-oxo-3-quinazolinyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[(2-methyl-4-oxoquinazolin-3-yl)carbamothioyl]butanamide Traditional Name: N-[(4-keto-2-methyl-quinazolin-3-yl)thiocarbamoyl]-3-methyl-2-phthalimido-butyramide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N5O4S/c1-12(2)18(27-20(30)14-8-4-5-9-15(14)21(27)31)19(29)25-23(33)26-28-13(3)24-17-11-7-6-10-16(17)22(28)32/h4-12,18H,1-3H3,(H2,25,26,29,33)