2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C25H28N4O2S/c1-3-13-29-24(31)21-11-7-8-12-22(21)26-25(29)32-19(2)23(30)28-16-14-27(15-17-28)18-20-9-5-4-6-10-20/h3-12,19H,1,13-18H2,2H3/t19-/m0/s1