4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide

Systemtic Name: 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide Openeye Name: 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-isopentyl-butanamide CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide IUPAC Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-isoamyl-butyramide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCCC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCCC(C)C)OCC

InChI

InChI=1S/C21H31N3O4S/c1-5-27-17-12-15-16(13-18(17)28-6-2)23-21(29)24(20(15)26)11-7-8-19(25)22-10-9-14(3)4/h12-14H,5-11H2,1-4H3,(H,22,25)(H,23,29)