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

Systemtic Name: (2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropylpyrazol-3-yl)-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-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C22H23N5O2S/c1-13(2)27-19(9-10-23-27)25-20(28)14(3)30-22-24-18-12-16-8-6-5-7-15(16)11-17(18)21(29)26(22)4/h5-14H,1-4H3,(H,25,28)/t14-/m0/s1