7-[2-(3,5-dimethylphenoxy)ethyl-methyl-carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methyl-carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[2-(3,5-dimethylphenoxy)ethyl-methyl-carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[2-(3,5-dimethylphenoxy)ethyl-methyl-carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C23H24N3O3S- MolecularWeight: 422.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-5-8-26-22(28)19-7-6-17(14-20(19)24-23(26)30)21(27)25(4)9-10-29-18-12-15(2)11-16(3)13-18/h5-7,11-14,28H,1,8-10H2,2-4H3/p-1