[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C23H22N4O2S/c1-15-8-10-16(11-9-15)22(19-7-4-12-30-19)25-13-21-26-18-6-3-2-5-17(18)23(29)27(21)14-20(24)28/h2-12,22,25H,13-14H2,1H3,(H2,24,28)/p+1/t22-/m1/s1