N-[(1R)-1-cyclopropylethyl]-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC(C)C4CC4

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N[C@H](C)C4CC4

InChI

InChI=1S/C21H23N3O2S/c1-3-24-20(26)17-10-15-6-4-5-7-16(15)11-18(17)23-21(24)27-12-19(25)22-13(2)14-8-9-14/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,22,25)/t13-/m1/s1