[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(S)-(4-isopropylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-[(S)-p-cumenyl(2-thienyl)methyl]ammonium Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C25H26N4O2S/c1-16(2)17-9-11-18(12-10-17)24(21-8-5-13-32-21)27-14-23-28-20-7-4-3-6-19(20)25(31)29(23)15-22(26)30/h3-13,16,24,27H,14-15H2,1-2H3,(H2,26,30)/p+1/t24-/m0/s1