6-chloranyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C19H22ClN3O2S MolecularWeight: 391.91488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C19H22ClN3O2S/c1-3-8-23-18(25)15-10-14(20)6-7-16(15)21-19(23)26-12-17(24)22-9-4-5-13(2)11-22/h3,6-7,10,13H,1,4-5,8-9,11-12H2,2H3/t13-/m0/s1