diethyl-[2-[7-(3-methoxypropylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[7-(3-methoxypropylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-(3-methoxypropylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[(3-methoxypropylamino)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-(3-methoxypropylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-(3-methoxypropylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCOC)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCOC)NC1=S

InChI

InChI=1S/C19H28N4O3S/c1-4-22(5-2)10-11-23-18(25)15-8-7-14(13-16(15)21-19(23)27)17(24)20-9-6-12-26-3/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,24)(H,21,27)/p+1