3-(3-ethoxypropyl)-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-ethoxypropyl)-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 3-(3-ethoxypropyl)-2-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-3-34-19-9-14-31-26(33)23-12-7-8-13-24(23)28-27(31)35-21(2)25(32)30-17-15-29(16-18-30)20-22-10-5-4-6-11-22/h4-8,10-13,21H,3,9,14-20H2,1-2H3/t21-/m1/s1