diethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium

Systemtic Name: diethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[2-[(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[2-[[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[4-keto-2-[[(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]quinazolin-3-yl]propyl]ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C20H29N5O3S/c1-5-24(6-2)12-9-13-25-18(27)15-10-7-8-11-16(15)22-20(25)29-14(3)17(26)23-19(28)21-4/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H2,21,23,26,28)/p+1/t14-/m1/s1