7-chloranyl-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isopropyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-3-isopropyl-quinazolin-4-one Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-12(2)23-19(26)16-9-8-15(21)10-17(16)22-20(23)27-11-18(25)24-13(3)6-5-7-14(24)4/h8-10,12-14H,5-7,11H2,1-4H3/t13-,14-/m0/s1