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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

InChI

InChI=1S/C21H23N3O4S/c1-4-24-20(26)15-7-6-14(12-16(15)23-21(24)29)19(25)22-10-9-13-5-8-17(27-2)18(11-13)28-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)(H,23,29)