2-[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: N-cyclopropyl-2-[methyl-[2-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetamide CAS Name: 2-[[2-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: N-cyclopropyl-2-[[2-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]acetyl]-methyl-amino]acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC(=O)NC4CC4

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC(=O)NC4CC4

InChI

InChI=1S/C26H30N4O3S/c1-4-17(2)18-9-13-20(14-10-18)30-25(33)21-7-5-6-8-22(21)28-26(30)34-16-24(32)29(3)15-23(31)27-19-11-12-19/h5-10,13-14,17,19H,4,11-12,15-16H2,1-3H3,(H,27,31)/t17-/m0/s1