N-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-[(2,5-dioxo-1-pyrrolidinyl)methyl]phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-(succinimidomethyl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CN4C(=O)CCC4=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CN4C(=O)CCC4=O)NC1=S

InChI

InChI=1S/C23H20N4O4S/c1-2-11-26-22(31)17-8-5-15(12-18(17)25-23(26)32)21(30)24-16-6-3-14(4-7-16)13-27-19(28)9-10-20(27)29/h2-8,12H,1,9-11,13H2,(H,24,30)(H,25,32)