7,8-diethoxy-5-oxidanylidene-N-(phenylmethyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Systemtic Name: 7,8-diethoxy-5-oxidanylidene-N-(phenylmethyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide Openeye Name: N-benzyl-7,8-diethoxy-5-oxo-1-thioxo-4H-thiazolo[3,4-a]quinazoline-3-carboxamide CAS Name: 7,8-diethoxy-5-oxo-N-(phenylmethyl)-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-3-carboxamide IUPAC Name: N-benzyl-7,8-diethoxy-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide Traditional Name: N-benzyl-7,8-diethoxy-5-keto-1-thioxo-4H-thiazolo[3,4-a]quinazoline-3-carboxamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC=CC=C4)OCC

InChI

InChI=1S/C22H21N3O4S2/c1-3-28-16-10-14-15(11-17(16)29-4-2)25-19(24-20(14)26)18(31-22(25)30)21(27)23-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,23,27)(H,24,26)