7-[3-(diethylazaniumyl)propylcarbamoyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[3-(diethylazaniumyl)propylcarbamoyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[3-(diethylammonio)propylcarbamoyl]-3-[(2-methoxyphenyl)methyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[3-(diethylammonio)propylamino]-oxomethyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[3-(diethylazaniumyl)propylcarbamoyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[3-(diethylammonio)propylcarbamoyl]-3-o-anisyl-2-thioxo-quinazolin-4-olate Formula: C24H30N4O3S MolecularWeight: 454.585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3OC

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3OC

InChI

InChI=1S/C24H30N4O3S/c1-4-27(5-2)14-8-13-25-22(29)17-11-12-19-20(15-17)26-24(32)28(23(19)30)16-18-9-6-7-10-21(18)31-3/h6-7,9-12,15,30H,4-5,8,13-14,16H2,1-3H3,(H,25,29)