2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]propionamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C24H25ClN4O3S/c1-5-11-29-23(32)18-10-9-17(25)12-19(18)27-24(29)33-16(4)22(31)26-13-20(30)28-21-14(2)7-6-8-15(21)3/h5-10,12,16H,1,11,13H2,2-4H3,(H,26,31)(H,28,30)