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

Systemtic Name: (3R)-1-[2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetyl]nipecotamide 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)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H](C3)C(=O)N

InChI

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