N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(2,6-dimethylphenoxy)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-4-11-25-21(27)17-9-8-16(13-18(17)24-22(25)29)20(26)23-10-12-28-19-14(2)6-5-7-15(19)3/h4-9,13H,1,10-12H2,2-3H3,(H,23,26)(H,24,29)