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

Systemtic Name: 7-[[2-[(diethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[2-[(diethylammonio)methyl]phenyl]methylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[2-[(diethylammonio)methyl]phenyl]methylamino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[2-[(diethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[2-[(diethylammonio)methyl]benzyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-4-13-28-23(30)20-12-11-17(14-21(20)26-24(28)31)22(29)25-15-18-9-7-8-10-19(18)16-27(5-2)6-3/h4,7-12,14,30H,1,5-6,13,15-16H2,2-3H3,(H,25,29)