2-[4-oxidanylidene-2-[[[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]methyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[[[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]methyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[[(S)-(4-isopropylphenyl)-(2-thienyl)methyl]amino]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]methyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[(S)-p-cumenyl(2-thienyl)methyl]amino]methyl]quinazolin-3-yl]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NCC3=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)/t24-/m0/s1