N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

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