(2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C20H22N4O3S/c1-11(2)21-19(27)23-17(25)12(3)28-20-22-16-10-14-8-6-5-7-13(14)9-15(16)18(26)24(20)4/h5-12H,1-4H3,(H2,21,23,25,27)/t12-/m0/s1