(2S)-N-ethyl-2-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetyl]amino]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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