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

Systemtic Name: (2S)-N-ethyl-2-[2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetyl]amino]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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