3-ethyl-N-methyl-4-oxidanylidene-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-methyl-4-oxidanylidene-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-methyl-4-oxo-N-(2-phenoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-methyl-4-oxo-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-methyl-4-oxo-N-(2-phenoxyethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-methyl-N-(2-phenoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CCOC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CCOC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C20H21N3O3S/c1-3-23-19(25)16-10-9-14(13-17(16)21-20(23)27)18(24)22(2)11-12-26-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,27)