dimethyl-[(1S)-2-[[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[4-(2-methyl-4-oxo-quinazolin-3-yl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[[4-(4-keto-2-methyl-quinazolin-3-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC(C4=CSC=C4)[NH+](C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC[C@H](C4=CSC=C4)[NH+](C)C

InChI

InChI=1S/C24H24N4O2S/c1-16-26-21-7-5-4-6-20(21)24(30)28(16)19-10-8-17(9-11-19)23(29)25-14-22(27(2)3)18-12-13-31-15-18/h4-13,15,22H,14H2,1-3H3,(H,25,29)/p+1/t22-/m1/s1