2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-[(2S)-butan-2-yl]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-4-15(2)24-20(26)17-11-7-8-12-18(17)22-21(24)27-16(3)19(25)23-13-9-5-6-10-14-23/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3/t15-,16+/m0/s1