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

Systemtic Name: 3-[(2R)-butan-2-yl]-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-[(1R)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2R)-butan-2-yl]-2-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2R)-butan-2-yl]-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]-3-[(1R)-1-methylpropyl]quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)CC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)CC

InChI

InChI=1S/C21H29N3O2S/c1-4-15(3)24-20(26)17-11-6-7-12-18(17)22-21(24)27-14-19(25)23-13-9-8-10-16(23)5-2/h6-7,11-12,15-16H,4-5,8-10,13-14H2,1-3H3/t15-,16+/m1/s1