7-chloranyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-quinazolin-4-one CAS Name: 7-chloro-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-7-chloro-quinazolin-4-one Formula: C26H28ClN3O2S MolecularWeight: 482.03742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C26H28ClN3O2S/c1-3-13-30-25(32)22-10-9-21(27)17-23(22)28-26(30)33-18(2)24(31)29-14-11-20(12-15-29)16-19-7-5-4-6-8-19/h3-10,17-18,20H,1,11-16H2,2H3