7-[[2-[(dimethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[2-[(dimethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[2-[(dimethylammonio)methyl]phenyl]methylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[2-[(dimethylammonio)methyl]phenyl]methylamino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[2-[(dimethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[2-[(dimethylammonio)methyl]benzyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

InChI

InChI=1S/C22H24N4O2S/c1-4-11-26-21(28)18-10-9-15(12-19(18)24-22(26)29)20(27)23-13-16-7-5-6-8-17(16)14-25(2)3/h4-10,12,28H,1,11,13-14H2,2-3H3,(H,23,27)