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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-ethyl-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-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

InChI

InChI=1S/C21H24N4O3S/c1-4-13(3)22-20(28)24-18(26)12-29-21-23-17-11-15-9-7-6-8-14(15)10-16(17)19(27)25(21)5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,22,24,26,28)/t13-/m0/s1