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

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-(propan-2-ylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-(isopropylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-(propan-2-ylamino)methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-7-(propan-2-ylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[7-(isopropylcarbamoyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-5-21(6-2)9-10-22-17(24)14-8-7-13(16(23)19-12(3)4)11-15(14)20-18(22)25/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,25)/p+1