2-[2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(isoamylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C24H38N5O3S+ MolecularWeight: 476.65522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C24H37N5O3S/c1-16(2)11-12-25-23(32)27-21(30)15-33-24-26-20-10-8-7-9-19(20)22(31)29(24)14-13-28(17(3)4)18(5)6/h7-10,16-18H,11-15H2,1-6H3,(H2,25,27,30,32)/p+1