2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C21H18ClN5O3S/c1-3-8-27-19(29)14-6-4-12(22)9-16(14)26-21(27)31-11(2)18(28)23-13-5-7-15-17(10-13)25-20(30)24-15/h3-7,9-11H,1,8H2,2H3,(H,23,28)(H2,24,25,30)