1-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetyl]isonipecotamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H26N4O3S/c1-3-13(2)24-19(27)15-6-4-5-7-16(15)22-20(24)28-12-17(25)23-10-8-14(9-11-23)18(21)26/h4-7,13-14H,3,8-12H2,1-2H3,(H2,21,26)/t13-/m0/s1