(2R)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SC(C)C(=O)N(C)CCC#N

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1S[C@H](C)C(=O)N(C)CCC#N

InChI

InChI=1S/C21H22N4O2S/c1-4-25-20(27)17-12-15-8-5-6-9-16(15)13-18(17)23-21(25)28-14(2)19(26)24(3)11-7-10-22/h5-6,8-9,12-14H,4,7,11H2,1-3H3/t14-/m1/s1