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

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=C(C=CC=C3C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=C(C=CC=C3C)C)NC1=S

InChI

InChI=1S/C21H23N3O3S/c1-4-24-20(26)16-9-8-15(12-17(16)23-21(24)28)19(25)22-10-11-27-18-13(2)6-5-7-14(18)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)(H,23,28)