2-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-dimethyl-ammonium Formula: C27H29N4O2S+ MolecularWeight: 473.60976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-30(2)17-18-31-26(33)22-15-9-10-16-23(22)28-27(31)34-19-24(32)29-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,25H,17-19H2,1-2H3,(H,29,32)/p+1