3-[2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C24H27ClN5O2S+ MolecularWeight: 485.02148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C24H26ClN5O2S/c1-3-29(4-2)12-7-13-30-23(32)19-8-5-6-9-21(19)28-24(30)33-16-22(31)27-18-11-10-17(15-26)20(25)14-18/h5-6,8-11,14H,3-4,7,12-13,16H2,1-2H3,(H,27,31)/p+1