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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)OCC

InChI

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