N-(2,4-dimethylphenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-4aH-quinazolin-3-ium-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-4aH-quinazolin-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-4aH-quinazolin-3-ium-2-yl)thio]-N-(2,4-dimethylphenyl)acetamide Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)CC=C)C

InChI

InChI=1S/C21H21N3O2S/c1-4-11-24-20(26)16-7-5-6-8-18(16)23-21(24)27-13-19(25)22-17-10-9-14(2)12-15(17)3/h4-10,12,16H,1,11,13H2,2-3H3/p+1