N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(3,5-dimethylphenoxy)ethyl]-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)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/h5-7,11-14H,1,8-10H2,2-4H3,(H,24,30)