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

Systemtic Name: 7-[[4-[(diethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-methyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[[4-[(diethylammonio)methyl]phenyl]methylcarbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[4-[(diethylammonio)methyl]phenyl]methylamino]-oxomethyl]-3-methyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-[(diethylazaniumyl)methyl]phenyl]methylcarbamoyl]-3-methyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[[4-[(diethylammonio)methyl]benzyl]carbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

InChI

InChI=1S/C22H26N4O2S/c1-4-26(5-2)14-16-8-6-15(7-9-16)13-23-20(27)17-10-11-18-19(12-17)24-22(29)25(3)21(18)28/h6-12,28H,4-5,13-14H2,1-3H3,(H,23,27)