7-chloranyl-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-4-16-7-5-6-10-24(16)19(26)13-28-21-23-18-11-15(22)8-9-17(18)20(27)25(21)12-14(2)3/h8-9,11,14,16H,4-7,10,12-13H2,1-3H3/t16-/m0/s1