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

Systemtic Name: diethyl-[2-[7-[2-hydroxyethyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: 2-[7-[benzyl(2-hydroxyethyl)carbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[7-[[2-hydroxyethyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: 2-[7-[benzyl(2-hydroxyethyl)carbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-[benzyl(2-hydroxyethyl)carbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCO)CC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C24H30N4O3S/c1-3-26(4-2)12-13-28-23(31)20-11-10-19(16-21(20)25-24(28)32)22(30)27(14-15-29)17-18-8-6-5-7-9-18/h5-11,16,29H,3-4,12-15,17H2,1-2H3,(H,25,32)/p+1