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

Systemtic Name: 2-[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[ethyl-[2-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[ethyl-[2-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]acetyl]amino]-N-isopropyl-acetamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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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(CC)CC(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-6-19(5)20-12-14-21(15-13-20)31-26(34)22-10-8-9-11-23(22)29-27(31)35-17-25(33)30(7-2)16-24(32)28-18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,28,32)/t19-/m0/s1