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

Systemtic Name: diethyl-[2-[7-(3-methylbutylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-(isopentylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[(3-methylbutylamino)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-(3-methylbutylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[7-(isoamylcarbamoyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-5-23(6-2)11-12-24-19(26)16-8-7-15(13-17(16)22-20(24)27)18(25)21-10-9-14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,25)(H,22,27)/p+1